4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine

C92H135F7N18O3S — CID 160936649

IUPAC4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine
SMILESCC(C)c1cc(C(C)(C)C)ncn1.CC(C)c1cc(C(F)F)ncn1.CC(C)c1cc(N2CCC(F)(F)CC2)ncn1.CC(C)c1cc(N2CCOCC2)ncn1.CC(C)c1ccnc(N(C)C)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccncc1.CCCS(=O)(=O)c1cc(C(C)C)ccn1.Cc1nc(C(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F2N3.C12H18N2.C11H17N3O.C11H18N2.C11H17NO2S.C10H16N2.C9H11F3N2.C8H10F2N2.C8H11N/c1-9(2)10-7-11(16-8-15-10)17-5-3-12(13,14)4-6-17;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-9(2)10-7-11(13-8-12-10)14-3-5-15-6-4-14;1-8(2)9-6-10(11(3,4)5)13-7-12-9;1-4-7-15(13,14)11-8-10(9(2)3)5-6-12-11;1-8(2)9-5-6-11-10(7-9)12(3)4;1-5(2)7-4-8(9(10,11)12)14-6(3)13-7;1-5(2)6-3-7(8(9)10)12-4-11-6;1-7(2)8-3-5-9-6-4-8/h7-9H,3-6H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,1-5H3;5-6,8-9H,4,7H2,1-3H3;5-8H,1-4H3;4-5H,1-3H3;3-5,8H,1-2H3;3-7H,1-2H3
InChIKeySTYSFCAUTBEDNC-UHFFFAOYSA-N
MW1706.27 g/mol
LogP22.30
Rot. Bonds17

About 4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine

4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine (PubChem CID 160936649) has the molecular formula C92H135F7N18O3S and a molecular weight of 1706.27 g/mol. Its IUPAC name is 4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine
PubChem CID160936649
Molecular FormulaC92H135F7N18O3S
Molecular Weight1706.27 g/mol
Exact Mass1705.06
IUPAC Name4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine
SMILESCC(C)c1cc(C(C)(C)C)ncn1.CC(C)c1cc(C(F)F)ncn1.CC(C)c1cc(N2CCC(F)(F)CC2)ncn1.CC(C)c1cc(N2CCOCC2)ncn1.CC(C)c1ccnc(N(C)C)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccncc1.CCCS(=O)(=O)c1cc(C(C)C)ccn1.Cc1nc(C(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F2N3.C12H18N2.C11H17N3O.C11H18N2.C11H17NO2S.C10H16N2.C9H11F3N2.C8H10F2N2.C8H11N/c1-9(2)10-7-11(16-8-15-10)17-5-3-12(13,14)4-6-17;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-9(2)10-7-11(13-8-12-10)14-3-5-15-6-4-14;1-8(2)9-6-10(11(3,4)5)13-7-12-9;1-4-7-15(13,14)11-8-10(9(2)3)5-6-12-11;1-8(2)9-5-6-11-10(7-9)12(3)4;1-5(2)7-4-8(9(10,11)12)14-6(3)13-7;1-5(2)6-3-7(8(9)10)12-4-11-6;1-7(2)8-3-5-9-6-4-8/h7-9H,3-6H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,1-5H3;5-6,8-9H,4,7H2,1-3H3;5-8H,1-4H3;4-5H,1-3H3;3-5,8H,1-2H3;3-7H,1-2H3
InChIKeySTYSFCAUTBEDNC-UHFFFAOYSA-N
XLogP22.30
TPSA236.79 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001706.27
LogP ≤ 522.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

4-[4-(4-Ethylsulfonylphenyl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 57761094
4-[4-(3-Methylsulfonylphenyl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 57761191
4-[4-(3-Ethylsulfonylphenyl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 57761292
4-[4-[5-[(2,6-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 58575805
4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 58575834
4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 58575903
5-[6-(5-Methylsulfonylpyridin-3-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507511
6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-N-(2-methylsulfonylpyridin-4-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507549
6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-N-(4-methylsulfonylpyridin-2-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507576
6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methylsulfonylpyridin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507816
6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-N-(6-methylsulfonylpyridin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 68111034
5-[6-[2-(2-Fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428433

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine (CID 160936649) is 4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine is CC(C)c1cc(C(C)(C)C)ncn1.CC(C)c1cc(C(F)F)ncn1.CC(C)c1cc(N2CCC(F)(F)CC2)ncn1.CC(C)c1cc(N2CCOCC2)ncn1.CC(C)c1ccnc(N(C)C)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccncc1.CCCS(=O)(=O)c1cc(C(C)C)ccn1.Cc1nc(C(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of 4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The InChIKey is STYSFCAUTBEDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3.C12H18N2.C11H17N3O.C11H18N2.C11H17NO2S.C10H16N2.C9H11F3N2.C8H10F2N2.C8H11N/c1-9(2)10-7-11(16-8-15-10)17-5-3-12(13,14)4-6-17;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-9(2)10-7-11(13-8-12-10)14-3-5-15-6-4-14;1-8(2)9-6-10(11(3,4)5)13-7-12-9;1-4-7-15(13,14)11-8-10(9(2)3)5-6-12-11;1-8(2)9-5-6-11-10(7-9)12(3)4;1-5(2)7-4-8(9(10,11)12)14-6(3)13-7;1-5(2)6-3-7(8(9)10)12-4-11-6;1-7(2)8-3-5-9-6-4-8/h7-9H,3-6H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,1-5H3;5-6,8-9H,4,7H2,1-3H3;5-8H,1-4H3;4-5H,1-3H3;3-5,8H,1-2H3;3-7H,1-2H3.
What are the key properties of 4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine?
4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine has a molecular weight of 1706.27 g/mol, XLogP of 22.30, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 160936649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).