4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine

C27H25N9 — CID 139220873

IUPAC4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(-c2cc(Nc3cccc(Nc4cc(-c5ccc(C)cc5)nc(N)n4)n3)nc(N)n2)cc1
InChIInChI=1S/C27H25N9/c1-16-6-10-18(11-7-16)20-14-24(35-26(28)30-20)33-22-4-3-5-23(32-22)34-25-15-21(31-27(29)36-25)19-12-8-17(2)9-13-19/h3-15H,1-2H3,(H6,28,29,30,31,32,33,34,35,36)
InChIKeyGFXVYPYWLVZSFQ-UHFFFAOYSA-N
MW475.56 g/mol
LogP5.26
Rot. Bonds6

About 4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine

4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 139220873) has the molecular formula C27H25N9 and a molecular weight of 475.56 g/mol. Its IUPAC name is 4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID139220873
Molecular FormulaC27H25N9
Molecular Weight475.56 g/mol
Exact Mass475.22
IUPAC Name4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(-c2cc(Nc3cccc(Nc4cc(-c5ccc(C)cc5)nc(N)n4)n3)nc(N)n2)cc1
InChIInChI=1S/C27H25N9/c1-16-6-10-18(11-7-16)20-14-24(35-26(28)30-20)33-22-4-3-5-23(32-22)34-25-15-21(31-27(29)36-25)19-12-8-17(2)9-13-19/h3-15H,1-2H3,(H6,28,29,30,31,32,33,34,35,36)
InChIKeyGFXVYPYWLVZSFQ-UHFFFAOYSA-N
XLogP5.26
TPSA140.55 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.56
LogP ≤ 55.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

4,6-Diphenylpyrimidin-2-amine
CID 619024
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
4-Amino-2,6-diphenylpyrimidine
CID 619020
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
Quinazoline, 2,4-dianilino-
CID 213847
4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649

Frequently Asked Questions

What is the IUPAC name of 4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine (CID 139220873) is 4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(-c2cc(Nc3cccc(Nc4cc(-c5ccc(C)cc5)nc(N)n4)n3)nc(N)n2)cc1.
What is the InChIKey of 4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is GFXVYPYWLVZSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N9/c1-16-6-10-18(11-7-16)20-14-24(35-26(28)30-20)33-22-4-3-5-23(32-22)34-25-15-21(31-27(29)36-25)19-12-8-17(2)9-13-19/h3-15H,1-2H3,(H6,28,29,30,31,32,33,34,35,36).
What are the key properties of 4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine?
4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 475.56 g/mol, XLogP of 5.26, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 139220873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).