4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine

C12H13ClN4O — CID 79915939

IUPAC4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1ncncc1N
InChIInChI=1S/C12H13ClN4O/c1-7-3-10(11(18-2)4-8(7)13)17-12-9(14)5-15-6-16-12/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyQVQIETTVVQLWBC-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.77
Rot. Bonds3

About 4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine

4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine (PubChem CID 79915939) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
PubChem CID79915939
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1ncncc1N
InChIInChI=1S/C12H13ClN4O/c1-7-3-10(11(18-2)4-8(7)13)17-12-9(14)5-15-6-16-12/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyQVQIETTVVQLWBC-UHFFFAOYSA-N
XLogP2.77
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine
CID 28846412
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine
CID 79021315
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80762859
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075212
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80736789
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 66340346
N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2402575
4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine
CID 115468524
5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid
CID 28529893
3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28847110
5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552563
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173822

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine (CID 79915939) is 4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine is COc1cc(Cl)c(C)cc1Nc1ncncc1N.
What is the InChIKey of 4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine?
The InChIKey is QVQIETTVVQLWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7-3-10(11(18-2)4-8(7)13)17-12-9(14)5-15-6-16-12/h3-6H,14H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine?
4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine has a molecular weight of 264.72 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79915939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).