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

C12H13ClN4O — CID 63024300

IUPAC6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2ncnc(Cl)c2N)c(C)c1
InChIInChI=1S/C12H13ClN4O/c1-7-5-8(18-2)3-4-9(7)17-12-10(14)11(13)15-6-16-12/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyDUUVERRJGCPQPN-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.77
Rot. Bonds3

About 6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine

6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine (PubChem CID 63024300) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine
PubChem CID63024300
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2ncnc(Cl)c2N)c(C)c1
InChIInChI=1S/C12H13ClN4O/c1-7-5-8(18-2)3-4-9(7)17-12-10(14)11(13)15-6-16-12/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyDUUVERRJGCPQPN-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

4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 11694491
6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63272259
4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80825505
6-chloro-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 23477564
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80825171
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
4-N-(5-chloro-2-methylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22547262
6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine
CID 80805047
5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80824993
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142849
2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 62867858

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine (CID 63024300) is 6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine is COc1ccc(Nc2ncnc(Cl)c2N)c(C)c1.
What is the InChIKey of 6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine?
The InChIKey is DUUVERRJGCPQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7-5-8(18-2)3-4-9(7)17-12-10(14)11(13)15-6-16-12/h3-6H,14H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine?
6-chloro-4-N-(4-methoxy-2-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 6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 63024300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).