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

C27H25N9O2 — CID 139220874

IUPAC4-N-[6-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2cc(Nc3cccc(Nc4cc(-c5ccc(OC)cc5)nc(N)n4)n3)nc(N)n2)cc1
InChIInChI=1S/C27H25N9O2/c1-37-18-10-6-16(7-11-18)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)17-8-12-19(38-2)13-9-17/h3-15H,1-2H3,(H6,28,29,30,31,32,33,34,35,36)
InChIKeyNRMZHXIFYMWURR-UHFFFAOYSA-N
MW507.56 g/mol
LogP4.66
Rot. Bonds8

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

4-N-[6-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 139220874) has the molecular formula C27H25N9O2 and a molecular weight of 507.56 g/mol. Its IUPAC name is 4-N-[6-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[6-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID139220874
Molecular FormulaC27H25N9O2
Molecular Weight507.56 g/mol
Exact Mass507.21
IUPAC Name4-N-[6-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2cc(Nc3cccc(Nc4cc(-c5ccc(OC)cc5)nc(N)n4)n3)nc(N)n2)cc1
InChIInChI=1S/C27H25N9O2/c1-37-18-10-6-16(7-11-18)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)17-8-12-19(38-2)13-9-17/h3-15H,1-2H3,(H6,28,29,30,31,32,33,34,35,36)
InChIKeyNRMZHXIFYMWURR-UHFFFAOYSA-N
XLogP4.66
TPSA159.01 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.56
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
6-[(Benzyloxy)methyl]-5-(4-{[(4-methoxyphenyl)methyl]amino}phenyl)pyrimidine-2,4-diamine
CID 11453509
3-{2-Methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzonitrile
CID 11660493
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine
CID 53325847
5-[4-[3-[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenoxy]propoxy]phenyl]-6-ethylpyrimidine-2,4-diamine;dihydrochloride
CID 60194459
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 12293992
6,7-Bis(3-methoxyphenyl)pteridine-2,4-diamine
CID 17755613
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
5-(Aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 10236557
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438

Frequently Asked Questions

What is the IUPAC name of 4-N-[6-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[6-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methoxyphenyl)pyrimidine-2,4-diamine (CID 139220874) is 4-N-[6-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[6-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[6-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methoxyphenyl)pyrimidine-2,4-diamine is COc1ccc(-c2cc(Nc3cccc(Nc4cc(-c5ccc(OC)cc5)nc(N)n4)n3)nc(N)n2)cc1.
What is the InChIKey of 4-N-[6-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is NRMZHXIFYMWURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N9O2/c1-37-18-10-6-16(7-11-18)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)17-8-12-19(38-2)13-9-17/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-methoxyphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
4-N-[6-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 507.56 g/mol, XLogP of 4.66, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 139220874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).