4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine

C13H16N4O2 — CID 80759827

IUPAC4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(OC)c(OC)c2)ncn1
InChIInChI=1S/C13H16N4O2/c1-14-12-7-13(16-8-15-12)17-9-4-5-10(18-2)11(6-9)19-3/h4-8H,1-3H3,(H2,14,15,16,17)
InChIKeyPUGXHJSCIZQCNB-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.28
Rot. Bonds5

About 4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine

4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80759827) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80759827
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(OC)c(OC)c2)ncn1
InChIInChI=1S/C13H16N4O2/c1-14-12-7-13(16-8-15-12)17-9-4-5-10(18-2)11(6-9)19-3/h4-8H,1-3H3,(H2,14,15,16,17)
InChIKeyPUGXHJSCIZQCNB-UHFFFAOYSA-N
XLogP2.28
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 82861687
4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866560
4-N-(2,5-dimethoxyphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866453
4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245
4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866559
4-N-(3,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864034
4-N-(3,4-dimethoxyphenyl)-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112866539
6-N-(3,4-dimethoxyphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112866558
4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865874
4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861116
4-N-(3,4-dimethoxyphenyl)-6-N-(3-ethylsulfonylphenyl)pyrimidine-4,6-diamine
CID 162160689
ethyl 4-[[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 112866544

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine (CID 80759827) is 4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2ccc(OC)c(OC)c2)ncn1.
What is the InChIKey of 4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is PUGXHJSCIZQCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-14-12-7-13(16-8-15-12)17-9-4-5-10(18-2)11(6-9)19-3/h4-8H,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 260.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80759827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).