4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine

C12H14N4O — CID 53261245

IUPAC4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(OC)cc2)ncn1
InChIInChI=1S/C12H14N4O/c1-13-11-7-12(15-8-14-11)16-9-3-5-10(17-2)6-4-9/h3-8H,1-2H3,(H2,13,14,15,16)
InChIKeyMSSUJBFLFDKCNX-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.27
Rot. Bonds4

About 4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine

4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 53261245) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID53261245
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(OC)cc2)ncn1
InChIInChI=1S/C12H14N4O/c1-13-11-7-12(15-8-14-11)16-9-3-5-10(17-2)6-4-9/h3-8H,1-2H3,(H2,13,14,15,16)
InChIKeyMSSUJBFLFDKCNX-UHFFFAOYSA-N
XLogP2.27
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,5-dimethylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865267
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239
4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 53261247
4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866265
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 82861687
2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80933993
1-[3-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866236
6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine
CID 80762676
4-[[6-(methylamino)pyrimidin-4-yl]amino]benzoic acid
CID 69162548
4-N-(2,5-dimethoxyphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866453
2,4-bis[4-[[6-(methylamino)pyrimidin-4-yl]amino]phenyl]pentan-3-one
CID 150888765

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine (CID 53261245) is 4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2ccc(OC)cc2)ncn1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is MSSUJBFLFDKCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-13-11-7-12(15-8-14-11)16-9-3-5-10(17-2)6-4-9/h3-8H,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 230.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 53261245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).