3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine

C83H85Cl3F4N20O — CID 160508083

IUPAC3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine
SMILESCCc1cc(-c2cc(C#N)ccc2C)nc(N)n1.CCc1cc(-c2cc(C#N)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C)c(F)cc2Cl)nc(N)n1.CCc1cc(-c2cc(Cl)c(C)cc2F)nc(N)n1.CCc1cc(-c2cc(F)c(C)cc2Cl)nc(N)n1.Cc1cc(-c2cc(CC3CC3)nc(N)n2)c(C)cc1F
InChIInChI=1S/C16H18FN3.C14H14N4O.C14H14N4.3C13H13ClFN3/c1-9-6-14(17)10(2)5-13(9)15-8-12(7-11-3-4-11)19-16(18)20-15;1-3-10-7-12(18-14(16)17-10)11-6-9(8-15)4-5-13(11)19-2;1-3-11-7-13(18-14(16)17-11)12-6-10(8-15)5-4-9(12)2;1-3-8-5-12(18-13(16)17-8)9-6-10(14)7(2)4-11(9)15;1-3-8-5-12(18-13(16)17-8)9-6-11(15)7(2)4-10(9)14;1-3-8-5-12(18-13(16)17-8)9-4-7(2)11(15)6-10(9)14/h5-6,8,11H,3-4,7H2,1-2H3,(H2,18,19,20);4-7H,3H2,1-2H3,(H2,16,17,18);4-7H,3H2,1-2H3,(H2,16,17,18);3*4-6H,3H2,1-2H3,(H2,16,17,18)
InChIKeyQSRHWTPZLCWPAH-UHFFFAOYSA-N
MW1561.08 g/mol
LogP18.24
Rot. Bonds14

About 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine

3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine (PubChem CID 160508083) has the molecular formula C83H85Cl3F4N20O and a molecular weight of 1561.08 g/mol. Its IUPAC name is 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine
PubChem CID160508083
Molecular FormulaC83H85Cl3F4N20O
Molecular Weight1561.08 g/mol
Exact Mass1558.62
IUPAC Name3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine
SMILESCCc1cc(-c2cc(C#N)ccc2C)nc(N)n1.CCc1cc(-c2cc(C#N)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C)c(F)cc2Cl)nc(N)n1.CCc1cc(-c2cc(Cl)c(C)cc2F)nc(N)n1.CCc1cc(-c2cc(F)c(C)cc2Cl)nc(N)n1.Cc1cc(-c2cc(CC3CC3)nc(N)n2)c(C)cc1F
InChIInChI=1S/C16H18FN3.C14H14N4O.C14H14N4.3C13H13ClFN3/c1-9-6-14(17)10(2)5-13(9)15-8-12(7-11-3-4-11)19-16(18)20-15;1-3-10-7-12(18-14(16)17-10)11-6-9(8-15)4-5-13(11)19-2;1-3-11-7-13(18-14(16)17-11)12-6-10(8-15)5-4-9(12)2;1-3-8-5-12(18-13(16)17-8)9-6-10(14)7(2)4-11(9)15;1-3-8-5-12(18-13(16)17-8)9-6-11(15)7(2)4-10(9)14;1-3-8-5-12(18-13(16)17-8)9-4-7(2)11(15)6-10(9)14/h5-6,8,11H,3-4,7H2,1-2H3,(H2,18,19,20);4-7H,3H2,1-2H3,(H2,16,17,18);4-7H,3H2,1-2H3,(H2,16,17,18);3*4-6H,3H2,1-2H3,(H2,16,17,18)
InChIKeyQSRHWTPZLCWPAH-UHFFFAOYSA-N
XLogP18.24
TPSA367.61 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001561.08
LogP ≤ 518.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine with MolForge

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Related Compounds

4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 157068955
3-(2-amino-6-ethylpyrimidin-4-yl)-4-fluorobenzonitrile;4-(5-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-(2,5-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-[5-fluoro-2-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 157251782
4-[2,5-Bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine
CID 157472919
4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 157488008
3-(2-Amino-6-ethylpyrimidin-4-yl)-4-fluorobenzonitrile;4-(2-chloro-5-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-(2,5-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 157644721
4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine
CID 157658692
3-(2-Amino-6-ethylpyrimidin-4-yl)benzonitrile;4-(1,3-benzodioxol-5-yl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 157864386
4-(4-Chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(4-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(4-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(2,2-dimethylpropyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 158191294
4-(4-Chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 158538763
4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 158961874
4-(3-Chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 159147124
3-[4-anilino-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzonitrile;6-(2-chlorophenyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(4-chlorophenyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N,6-diphenyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine;6-(2-methoxyphenyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-methylphenyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 159198322

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine?
The IUPAC name of 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine (CID 160508083) is 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine is CCc1cc(-c2cc(C#N)ccc2C)nc(N)n1.CCc1cc(-c2cc(C#N)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C)c(F)cc2Cl)nc(N)n1.CCc1cc(-c2cc(Cl)c(C)cc2F)nc(N)n1.CCc1cc(-c2cc(F)c(C)cc2Cl)nc(N)n1.Cc1cc(-c2cc(CC3CC3)nc(N)n2)c(C)cc1F.
What is the InChIKey of 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine?
The InChIKey is QSRHWTPZLCWPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3.C14H14N4O.C14H14N4.3C13H13ClFN3/c1-9-6-14(17)10(2)5-13(9)15-8-12(7-11-3-4-11)19-16(18)20-15;1-3-10-7-12(18-14(16)17-10)11-6-9(8-15)4-5-13(11)19-2;1-3-11-7-13(18-14(16)17-11)12-6-10(8-15)5-4-9(12)2;1-3-8-5-12(18-13(16)17-8)9-6-10(14)7(2)4-11(9)15;1-3-8-5-12(18-13(16)17-8)9-6-11(15)7(2)4-10(9)14;1-3-8-5-12(18-13(16)17-8)9-4-7(2)11(15)6-10(9)14/h5-6,8,11H,3-4,7H2,1-2H3,(H2,18,19,20);4-7H,3H2,1-2H3,(H2,16,17,18);4-7H,3H2,1-2H3,(H2,16,17,18);3*4-6H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine?
3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine has a molecular weight of 1561.08 g/mol, XLogP of 18.24, 14 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 160508083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).