4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine

C69H75Cl6N15O — CID 159469098

IUPAC4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine
SMILESCCCc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.CCc1cc(-c2ccc(C(C)(C)C)cc2)nc(N)n1.CCc1cc(-c2ccc(C)cc2)nc(N)n1.CCc1cc(-c2ccc(Cl)c(Cl)c2)nc(N)n1.Nc1nc(CC2CCOC2)cc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C16H21N3.C15H15Cl2N3O.C13H13Cl2N3.C13H15N3.C12H11Cl2N3/c1-5-13-10-14(19-15(17)18-13)11-6-8-12(9-7-11)16(2,3)4;16-12-3-1-2-11(14(12)17)13-7-10(19-15(18)20-13)6-9-4-5-21-8-9;1-2-4-8-7-11(18-13(16)17-8)9-5-3-6-10(14)12(9)15;1-3-11-8-12(16-13(14)15-11)10-6-4-9(2)5-7-10;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7/h6-10H,5H2,1-4H3,(H2,17,18,19);1-3,7,9H,4-6,8H2,(H2,18,19,20);3,5-7H,2,4H2,1H3,(H2,16,17,18);4-8H,3H2,1-2H3,(H2,14,15,16);3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyLVOLNZDIJNZHCJ-UHFFFAOYSA-N
MW1343.18 g/mol
LogP17.37
Rot. Bonds12

About 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine

4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine (PubChem CID 159469098) has the molecular formula C69H75Cl6N15O and a molecular weight of 1343.18 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine
PubChem CID159469098
Molecular FormulaC69H75Cl6N15O
Molecular Weight1343.18 g/mol
Exact Mass1339.44
IUPAC Name4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine
SMILESCCCc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.CCc1cc(-c2ccc(C(C)(C)C)cc2)nc(N)n1.CCc1cc(-c2ccc(C)cc2)nc(N)n1.CCc1cc(-c2ccc(Cl)c(Cl)c2)nc(N)n1.Nc1nc(CC2CCOC2)cc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C16H21N3.C15H15Cl2N3O.C13H13Cl2N3.C13H15N3.C12H11Cl2N3/c1-5-13-10-14(19-15(17)18-13)11-6-8-12(9-7-11)16(2,3)4;16-12-3-1-2-11(14(12)17)13-7-10(19-15(18)20-13)6-9-4-5-21-8-9;1-2-4-8-7-11(18-13(16)17-8)9-5-3-6-10(14)12(9)15;1-3-11-8-12(16-13(14)15-11)10-6-4-9(2)5-7-10;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7/h6-10H,5H2,1-4H3,(H2,17,18,19);1-3,7,9H,4-6,8H2,(H2,18,19,20);3,5-7H,2,4H2,1H3,(H2,16,17,18);4-8H,3H2,1-2H3,(H2,14,15,16);3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyLVOLNZDIJNZHCJ-UHFFFAOYSA-N
XLogP17.37
TPSA268.23 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001343.18
LogP ≤ 517.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine (CID 159469098) is 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine is CCCc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.CCc1cc(-c2ccc(C(C)(C)C)cc2)nc(N)n1.CCc1cc(-c2ccc(C)cc2)nc(N)n1.CCc1cc(-c2ccc(Cl)c(Cl)c2)nc(N)n1.Nc1nc(CC2CCOC2)cc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine?
The InChIKey is LVOLNZDIJNZHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3.C15H15Cl2N3O.C13H13Cl2N3.C13H15N3.C12H11Cl2N3/c1-5-13-10-14(19-15(17)18-13)11-6-8-12(9-7-11)16(2,3)4;16-12-3-1-2-11(14(12)17)13-7-10(19-15(18)20-13)6-9-4-5-21-8-9;1-2-4-8-7-11(18-13(16)17-8)9-5-3-6-10(14)12(9)15;1-3-11-8-12(16-13(14)15-11)10-6-4-9(2)5-7-10;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7/h6-10H,5H2,1-4H3,(H2,17,18,19);1-3,7,9H,4-6,8H2,(H2,18,19,20);3,5-7H,2,4H2,1H3,(H2,16,17,18);4-8H,3H2,1-2H3,(H2,14,15,16);3-6H,2H2,1H3,(H2,15,16,17).
What are the key properties of 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine?
4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine has a molecular weight of 1343.18 g/mol, XLogP of 17.37, 12 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 159469098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).