4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine

C20H22N4O3 — CID 112860141

IUPAC4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(OC)c(Nc2cc(NCc3ccccc3OC)ncn2)c1
InChIInChI=1S/C20H22N4O3/c1-25-15-8-9-18(27-3)16(10-15)24-20-11-19(22-13-23-20)21-12-14-6-4-5-7-17(14)26-2/h4-11,13H,12H2,1-3H3,(H2,21,22,23,24)
InChIKeyBPGOWGAIJOZUHK-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.86
Rot. Bonds8

About 4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine

4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112860141) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112860141
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(OC)c(Nc2cc(NCc3ccccc3OC)ncn2)c1
InChIInChI=1S/C20H22N4O3/c1-25-15-8-9-18(27-3)16(10-15)24-20-11-19(22-13-23-20)21-12-14-6-4-5-7-17(14)26-2/h4-11,13H,12H2,1-3H3,(H2,21,22,23,24)
InChIKeyBPGOWGAIJOZUHK-UHFFFAOYSA-N
XLogP3.86
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2,4-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860142
6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112860098
2-[[6-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113195006
6-N-[(2-methoxyphenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112860115
6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865751
6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112858817
6-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855280
4-N-(2,5-dimethoxyphenyl)-6-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872394
6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109348556
4-N-(2,5-dimethoxyphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866453
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860060

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine (CID 112860141) is 4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine is COc1ccc(OC)c(Nc2cc(NCc3ccccc3OC)ncn2)c1.
What is the InChIKey of 4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is BPGOWGAIJOZUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-25-15-8-9-18(27-3)16(10-15)24-20-11-19(22-13-23-20)21-12-14-6-4-5-7-17(14)26-2/h4-11,13H,12H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 366.42 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112860141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).