4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine

C12H12ClN3 — CID 155169736

IUPAC4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cccc(C)c1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C12H12ClN3/c1-7-4-3-5-8(2)11(7)9-6-10(13)16-12(14)15-9/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyWWLRKASVDZHQEB-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.00
Rot. Bonds1

About 4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine

4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine (PubChem CID 155169736) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine
PubChem CID155169736
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cccc(C)c1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C12H12ClN3/c1-7-4-3-5-8(2)11(7)9-6-10(13)16-12(14)15-9/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyWWLRKASVDZHQEB-UHFFFAOYSA-N
XLogP3.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine (CID 155169736) is 4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine is Cc1cccc(C)c1-c1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine?
The InChIKey is WWLRKASVDZHQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-7-4-3-5-8(2)11(7)9-6-10(13)16-12(14)15-9/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine?
4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine has a molecular weight of 233.70 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 155169736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).