4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine

C21H18N6O — CID 58442794

IUPAC4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine
SMILESNc1cccc(Nc2cc(Nc3cccc(Oc4ccccc4)c3)ncn2)n1
InChIInChI=1S/C21H18N6O/c22-18-10-5-11-19(26-18)27-21-13-20(23-14-24-21)25-15-6-4-9-17(12-15)28-16-7-2-1-3-8-16/h1-14H,(H4,22,23,24,25,26,27)
InChIKeyTZKYXOKRJMGEQW-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.73
Rot. Bonds6

About 4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine

4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 58442794) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine
PubChem CID58442794
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine
SMILESNc1cccc(Nc2cc(Nc3cccc(Oc4ccccc4)c3)ncn2)n1
InChIInChI=1S/C21H18N6O/c22-18-10-5-11-19(26-18)27-21-13-20(23-14-24-21)25-15-6-4-9-17(12-15)28-16-7-2-1-3-8-16/h1-14H,(H4,22,23,24,25,26,27)
InChIKeyTZKYXOKRJMGEQW-UHFFFAOYSA-N
XLogP4.73
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-phenylpyrimidine-4,6-diamine
CID 3031502
N-[6-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide
CID 66769733
6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine
CID 80647295
3-[[6-(2-phenoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193183
4-N-tert-butyl-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 112863830
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 117085780
1-N-(oxaboriran-2-yl)-3-N-[6-(4-phenoxyphenyl)sulfanylpyrimidin-4-yl]benzene-1,3-diamine
CID 58434670
4-(dimethylamino)-N-[6-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]pent-2-enamide
CID 123310278
4-(3-amino-4-methoxyphenyl)-N-(3-phenoxyphenyl)pyridin-2-amine
CID 59681549
N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine
CID 117089637
1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 58976644
6-(3-phenoxyphenyl)pyrimidin-4-amine
CID 152697085

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine (CID 58442794) is 4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine is Nc1cccc(Nc2cc(Nc3cccc(Oc4ccccc4)c3)ncn2)n1.
What is the InChIKey of 4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is TZKYXOKRJMGEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c22-18-10-5-11-19(26-18)27-21-13-20(23-14-24-21)25-15-6-4-9-17(12-15)28-16-7-2-1-3-8-16/h1-14H,(H4,22,23,24,25,26,27).
What are the key properties of 4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine?
4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 370.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 58442794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).