1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(3H-inden-1-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine

C102H106ClF2N21O — CID 158086644

About 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(3H-inden-1-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine

1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(3H-inden-1-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 158086644) has the molecular formula C102H106ClF2N21O and a molecular weight of 1715.56 g/mol. Its IUPAC name is 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(3H-inden-1-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(3H-inden-1-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
• PubChem CID: 158086644
• Molecular Formula: C102H106ClF2N21O
• Molecular Weight: 1715.56 g/mol
• Exact Mass: 1713.85
• IUPAC Name: 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(3H-inden-1-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
• SMILES: CCc1cc(-c2cccc(C(=O)Cc3ccc(C)cc3)c2)nc(N)n1.CNc1cc(C2=CCc3ccccc32)nc(N)n1.Cc1cccc(-c2cc(CC3CC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCc3ccccc3)nc(N)n2)c1C.Nc1nc(NCC(F)F)cc(-c2cccc(Cl)c2)n1.Nc1nc(NCCc2ccccc2)cc(-c2ccccc2)n1
• InChI: InChI=1S/C21H21N3O.C21H23N3.C18H18N4.C16H19N3.C14H14N4.C12H11ClF2N4/c1-3-18-13-19(24-21(22)23-18)16-5-4-6-17(12-16)20(25)11-15-9-7-14(2)8-10-15;1-15-8-6-13-19(16(15)2)20-14-18(23-21(22)24-20)12-7-11-17-9-4-3-5-10-17;19-18-21-16(15-9-5-2-6-10-15)13-17(22-18)20-12-11-14-7-3-1-4-8-14;1-10-4-3-5-14(11(10)2)15-9-13(8-12-6-7-12)18-16(17)19-15;1-16-13-8-12(17-14(15)18-13)11-7-6-9-4-2-3-5-10(9)11;13-8-3-1-2-7(4-8)9-5-11(17-6-10(14)15)19-12(16)18-9/h4-10,12-13H,3,11H2,1-2H3,(H2,22,23,24);3-6,8-10,13-14H,7,11-12H2,1-2H3,(H2,22,23,24);1-10,13H,11-12H2,(H3,19,20,21,22);3-5,9,12H,6-8H2,1-2H3,(H2,17,18,19);2-5,7-8H,6H2,1H3,(H3,15,16,17,18);1-5,10H,6H2,(H3,16,17,18,19)
• InChIKey: FNPAJAJAQQITCD-UHFFFAOYSA-N
• XLogP: 20.36
• TPSA: 363.96 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1715.56
LogP ≤ 5	20.36
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(3H-inden-1-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?

The IUPAC name of 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(3H-inden-1-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (CID 158086644) is 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(3H-inden-1-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(3H-inden-1-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?

The canonical SMILES for 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(3H-inden-1-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is CCc1cc(-c2cccc(C(=O)Cc3ccc(C)cc3)c2)nc(N)n1.CNc1cc(C2=CCc3ccccc32)nc(N)n1.Cc1cccc(-c2cc(CC3CC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCc3ccccc3)nc(N)n2)c1C.Nc1nc(NCC(F)F)cc(-c2cccc(Cl)c2)n1.Nc1nc(NCCc2ccccc2)cc(-c2ccccc2)n1.

What is the InChIKey of 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(3H-inden-1-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?

The InChIKey is FNPAJAJAQQITCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O.C21H23N3.C18H18N4.C16H19N3.C14H14N4.C12H11ClF2N4/c1-3-18-13-19(24-21(22)23-18)16-5-4-6-17(12-16)20(25)11-15-9-7-14(2)8-10-15;1-15-8-6-13-19(16(15)2)20-14-18(23-21(22)24-20)12-7-11-17-9-4-3-5-10-17;19-18-21-16(15-9-5-2-6-10-15)13-17(22-18)20-12-11-14-7-3-1-4-8-14;1-10-4-3-5-14(11(10)2)15-9-13(8-12-6-7-12)18-16(17)19-15;1-16-13-8-12(17-14(15)18-13)11-7-6-9-4-2-3-5-10(9)11;13-8-3-1-2-7(4-8)9-5-11(17-6-10(14)15)19-12(16)18-9/h4-10,12-13H,3,11H2,1-2H3,(H2,22,23,24);3-6,8-10,13-14H,7,11-12H2,1-2H3,(H2,22,23,24);1-10,13H,11-12H2,(H3,19,20,21,22);3-5,9,12H,6-8H2,1-2H3,(H2,17,18,19);2-5,7-8H,6H2,1H3,(H3,15,16,17,18);1-5,10H,6H2,(H3,16,17,18,19).

What are the key properties of 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(3H-inden-1-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?

1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(3H-inden-1-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 1715.56 g/mol, XLogP of 20.36, 24 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(3H-inden-1-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 158086644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).