4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine

C12H12ClN3O2 — CID 24743459

IUPAC4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(Cl)nc(N)n2)cc1OC
InChIInChI=1S/C12H12ClN3O2/c1-17-9-4-3-7(5-10(9)18-2)8-6-11(13)16-12(14)15-8/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyHLMJWADPGOTIAZ-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.40
Rot. Bonds3

About 4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine

4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine (PubChem CID 24743459) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
PubChem CID24743459
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(Cl)nc(N)n2)cc1OC
InChIInChI=1S/C12H12ClN3O2/c1-17-9-4-3-7(5-10(9)18-2)8-6-11(13)16-12(14)15-8/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyHLMJWADPGOTIAZ-UHFFFAOYSA-N
XLogP2.40
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine
CID 43557828
4-chloro-2-(3,4-dimethoxyphenyl)pyridine
CID 102825072
4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane
CID 143206145
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300017
4-(3-chloro-4-methoxyphenyl)-6-pyridin-3-ylpyrimidin-2-amine
CID 58626083
4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine
CID 82291455
4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine
CID 80739225
4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine
CID 80935506
2-chloro-6-(3,4-dimethoxyphenyl)pyrimidine-4-carbonitrile
CID 39374773
5-chloro-2-(3,4-dimethoxyphenyl)aniline
CID 81274731
4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine
CID 63867126
4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine
CID 2854304

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine (CID 24743459) is 4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine is COc1ccc(-c2cc(Cl)nc(N)n2)cc1OC.
What is the InChIKey of 4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is HLMJWADPGOTIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-17-9-4-3-7(5-10(9)18-2)8-6-11(13)16-12(14)15-8/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine?
4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine has a molecular weight of 265.70 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 24743459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).