4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine

C11H10ClN3O — CID 82291455

IUPAC4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2ccnc(N)n2)cc1Cl
InChIInChI=1S/C11H10ClN3O/c1-16-10-3-2-7(6-8(10)12)9-4-5-14-11(13)15-9/h2-6H,1H3,(H2,13,14,15)
InChIKeyJSWZRNZQLJZSNT-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.39
Rot. Bonds2

About 4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine

4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 82291455) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine
PubChem CID82291455
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2ccnc(N)n2)cc1Cl
InChIInChI=1S/C11H10ClN3O/c1-16-10-3-2-7(6-8(10)12)9-4-5-14-11(13)15-9/h2-6H,1H3,(H2,13,14,15)
InChIKeyJSWZRNZQLJZSNT-UHFFFAOYSA-N
XLogP2.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-methoxyphenyl)-6-pyridin-3-ylpyrimidin-2-amine
CID 58626083
5-(2-chloropyrimidin-4-yl)-2-methoxyphenol
CID 91620392
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057
4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
CID 24743459
2-chloro-5-(3-chloro-4-methoxyphenyl)aniline
CID 62908744
4-(2,4-dimethoxyphenyl)pyrimidin-2-amine
CID 39733899
2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine
CID 65022574
[6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine
CID 116857617
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
4-(3-chloro-4-methoxyphenyl)pyridin-3-amine
CID 83167143
5-(3-chloro-4-methoxyphenyl)-2-methylaniline
CID 54912520
1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 5162652

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine (CID 82291455) is 4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(-c2ccnc(N)n2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is JSWZRNZQLJZSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-16-10-3-2-7(6-8(10)12)9-4-5-14-11(13)15-9/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine?
4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 235.67 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 82291455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).