7-chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine

C175H198Cl2F12N36 — CID 157493603

IUPAC7-chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cc(-n2cccn2)ncn1.CC(C)c1cc(C(F)F)ncn1.CC(C)c1ccnc(C(F)(F)F)n1.CC(C)c1ccncn1.CC(C)c1ncnc2c(Cl)cccc12.CC(C)c1ncnc2c(F)cccc12.CC(C)c1ncnc2cc(Cl)ccc12.CC(C)c1ncnc2cc(F)c(F)cc12.CC(C)c1ncnc2cc(F)ccc12.CC(C)c1ncnc2ccc(F)cc12.CC(C)c1ncnc2cccc(F)c12.CC(C)c1ncnc2ccccc12.Cc1cc(C(C)C)nc(C)n1.Cc1cc(C(C)C)nc(C)n1.Cc1nc(C(C)C)c2ccc(F)cc2n1.Cc1nc(C(C)C)c2ccccc2n1.Cc1nc(C(C)C)c2ccccc2n1
InChIInChI=1S/C12H13FN2.2C12H14N2.2C11H11ClN2.C11H10F2N2.4C11H11FN2.C11H12N2.C10H12N4.2C9H14N2.C8H9F3N2.C8H10F2N2.C7H10N2/c1-7(2)12-10-5-4-9(13)6-11(10)14-8(3)15-12;2*1-8(2)12-10-6-4-5-7-11(10)13-9(3)14-12;1-7(2)11-9-4-3-8(12)5-10(9)13-6-14-11;1-7(2)10-8-4-3-5-9(12)11(8)14-6-13-10;1-6(2)11-7-3-8(12)9(13)4-10(7)14-5-15-11;1-7(2)11-9-5-8(12)3-4-10(9)13-6-14-11;1-7(2)11-9-4-3-8(12)5-10(9)13-6-14-11;1-7(2)11-10-8(12)4-3-5-9(10)13-6-14-11;1-7(2)10-8-4-3-5-9(12)11(8)14-6-13-10;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)9-6-10(12-7-11-9)14-5-3-4-13-14;2*1-6(2)9-5-7(3)10-8(4)11-9;1-5(2)6-3-4-12-7(13-6)8(9,10)11;1-5(2)6-3-7(8(9)10)12-4-11-6;1-6(2)7-3-4-8-5-9-7/h4-7H,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;4*3-7H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;2*5-6H,1-4H3;3-5H,1-2H3;3-5,8H,1-2H3;3-6H,1-2H3
InChIKeyBXOHQZOOJSTWBU-UHFFFAOYSA-N
MW3104.64 g/mol
LogP46.47
Rot. Bonds19

About 7-chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine

7-chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 157493603) has the molecular formula C175H198Cl2F12N36 and a molecular weight of 3104.64 g/mol. Its IUPAC name is 7-chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name7-chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine
PubChem CID157493603
Molecular FormulaC175H198Cl2F12N36
Molecular Weight3104.64 g/mol
Exact Mass3101.58
IUPAC Name7-chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cc(-n2cccn2)ncn1.CC(C)c1cc(C(F)F)ncn1.CC(C)c1ccnc(C(F)(F)F)n1.CC(C)c1ccncn1.CC(C)c1ncnc2c(Cl)cccc12.CC(C)c1ncnc2c(F)cccc12.CC(C)c1ncnc2cc(Cl)ccc12.CC(C)c1ncnc2cc(F)c(F)cc12.CC(C)c1ncnc2cc(F)ccc12.CC(C)c1ncnc2ccc(F)cc12.CC(C)c1ncnc2cccc(F)c12.CC(C)c1ncnc2ccccc12.Cc1cc(C(C)C)nc(C)n1.Cc1cc(C(C)C)nc(C)n1.Cc1nc(C(C)C)c2ccc(F)cc2n1.Cc1nc(C(C)C)c2ccccc2n1.Cc1nc(C(C)C)c2ccccc2n1
InChIInChI=1S/C12H13FN2.2C12H14N2.2C11H11ClN2.C11H10F2N2.4C11H11FN2.C11H12N2.C10H12N4.2C9H14N2.C8H9F3N2.C8H10F2N2.C7H10N2/c1-7(2)12-10-5-4-9(13)6-11(10)14-8(3)15-12;2*1-8(2)12-10-6-4-5-7-11(10)13-9(3)14-12;1-7(2)11-9-4-3-8(12)5-10(9)13-6-14-11;1-7(2)10-8-4-3-5-9(12)11(8)14-6-13-10;1-6(2)11-7-3-8(12)9(13)4-10(7)14-5-15-11;1-7(2)11-9-5-8(12)3-4-10(9)13-6-14-11;1-7(2)11-9-4-3-8(12)5-10(9)13-6-14-11;1-7(2)11-10-8(12)4-3-5-9(10)13-6-14-11;1-7(2)10-8-4-3-5-9(12)11(8)14-6-13-10;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)9-6-10(12-7-11-9)14-5-3-4-13-14;2*1-6(2)9-5-7(3)10-8(4)11-9;1-5(2)6-3-4-12-7(13-6)8(9,10)11;1-5(2)6-3-7(8(9)10)12-4-11-6;1-6(2)7-3-4-8-5-9-7/h4-7H,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;4*3-7H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;2*5-6H,1-4H3;3-5H,1-2H3;3-5,8H,1-2H3;3-6H,1-2H3
InChIKeyBXOHQZOOJSTWBU-UHFFFAOYSA-N
XLogP46.47
TPSA456.08 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds19
Heavy Atoms225
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003104.64
LogP ≤ 546.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 7-chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 7-chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 157493603) is 7-chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 7-chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 7-chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine is CC(C)c1cc(-n2cccn2)ncn1.CC(C)c1cc(C(F)F)ncn1.CC(C)c1ccnc(C(F)(F)F)n1.CC(C)c1ccncn1.CC(C)c1ncnc2c(Cl)cccc12.CC(C)c1ncnc2c(F)cccc12.CC(C)c1ncnc2cc(Cl)ccc12.CC(C)c1ncnc2cc(F)c(F)cc12.CC(C)c1ncnc2cc(F)ccc12.CC(C)c1ncnc2ccc(F)cc12.CC(C)c1ncnc2cccc(F)c12.CC(C)c1ncnc2ccccc12.Cc1cc(C(C)C)nc(C)n1.Cc1cc(C(C)C)nc(C)n1.Cc1nc(C(C)C)c2ccc(F)cc2n1.Cc1nc(C(C)C)c2ccccc2n1.Cc1nc(C(C)C)c2ccccc2n1.
What is the InChIKey of 7-chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is BXOHQZOOJSTWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2.2C12H14N2.2C11H11ClN2.C11H10F2N2.4C11H11FN2.C11H12N2.C10H12N4.2C9H14N2.C8H9F3N2.C8H10F2N2.C7H10N2/c1-7(2)12-10-5-4-9(13)6-11(10)14-8(3)15-12;2*1-8(2)12-10-6-4-5-7-11(10)13-9(3)14-12;1-7(2)11-9-4-3-8(12)5-10(9)13-6-14-11;1-7(2)10-8-4-3-5-9(12)11(8)14-6-13-10;1-6(2)11-7-3-8(12)9(13)4-10(7)14-5-15-11;1-7(2)11-9-5-8(12)3-4-10(9)13-6-14-11;1-7(2)11-9-4-3-8(12)5-10(9)13-6-14-11;1-7(2)11-10-8(12)4-3-5-9(10)13-6-14-11;1-7(2)10-8-4-3-5-9(12)11(8)14-6-13-10;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)9-6-10(12-7-11-9)14-5-3-4-13-14;2*1-6(2)9-5-7(3)10-8(4)11-9;1-5(2)6-3-4-12-7(13-6)8(9,10)11;1-5(2)6-3-7(8(9)10)12-4-11-6;1-6(2)7-3-4-8-5-9-7/h4-7H,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;4*3-7H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;2*5-6H,1-4H3;3-5H,1-2H3;3-5,8H,1-2H3;3-6H,1-2H3.
What are the key properties of 7-chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine?
7-chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 3104.64 g/mol, XLogP of 46.47, 19 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 157493603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).