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

C11H11ClN4O — CID 80814894

IUPAC4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Cl)c(Nc2cc(N)ncn2)c1
InChIInChI=1S/C11H11ClN4O/c1-17-7-2-3-8(12)9(4-7)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyFPNKBCSNPJEJDR-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.46
Rot. Bonds3

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

4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 80814894) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
PubChem CID80814894
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Cl)c(Nc2cc(N)ncn2)c1
InChIInChI=1S/C11H11ClN4O/c1-17-7-2-3-8(12)9(4-7)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyFPNKBCSNPJEJDR-UHFFFAOYSA-N
XLogP2.46
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865751
5-bromo-4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 114072136
3-[(6-aminopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80852551
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 55079735
6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865872
2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83004624
4-chloro-3-N-(6-methylsulfanylpyrimidin-4-yl)benzene-1,3-diamine
CID 106973176
4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791494
4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine
CID 89380661
N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80901649
4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,6-diamine
CID 114561888
4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine
CID 80772607

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine (CID 80814894) is 4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine is COc1ccc(Cl)c(Nc2cc(N)ncn2)c1.
What is the InChIKey of 4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is FPNKBCSNPJEJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-17-7-2-3-8(12)9(4-7)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine?
4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 250.69 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80814894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).