4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine

C12H15N5O — CID 80802485

IUPAC4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine
SMILESCOc1ccc(Nc2cc(N)nc(N)n2)cc1C
InChIInChI=1S/C12H15N5O/c1-7-5-8(3-4-9(7)18-2)15-11-6-10(13)16-12(14)17-11/h3-6H,1-2H3,(H5,13,14,15,16,17)
InChIKeySLSYIYUXFNEIHF-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.70
Rot. Bonds3

About 4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine

4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine (PubChem CID 80802485) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine
PubChem CID80802485
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine
SMILESCOc1ccc(Nc2cc(N)nc(N)n2)cc1C
InChIInChI=1S/C12H15N5O/c1-7-5-8(3-4-9(7)18-2)15-11-6-10(13)16-12(14)17-11/h3-6H,1-2H3,(H5,13,14,15,16,17)
InChIKeySLSYIYUXFNEIHF-UHFFFAOYSA-N
XLogP1.70
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine
CID 80935459
2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 53214669
6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine
CID 79828246
4-N-(3-bromo-4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 80846996
6-hydrazinyl-N-(4-methoxy-3-methylphenyl)pyrazin-2-amine
CID 80897203
4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80924462
4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine
CID 78955869
N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 163936403
4-N-(3,4-dimethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 53214462
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
4-N-(3-chloro-4-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80762923
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 82862436

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine (CID 80802485) is 4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine is COc1ccc(Nc2cc(N)nc(N)n2)cc1C.
What is the InChIKey of 4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine?
The InChIKey is SLSYIYUXFNEIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-5-8(3-4-9(7)18-2)15-11-6-10(13)16-12(14)17-11/h3-6H,1-2H3,(H5,13,14,15,16,17).
What are the key properties of 4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine?
4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine has a molecular weight of 245.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80802485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).