N-(3-chlorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride

C12H13Cl2N3 — CID 2969483

IUPACN-(3-chlorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
SMILESCc1cc(C)nc(Nc2cccc(Cl)c2)n1.Cl
InChIInChI=1S/C12H12ClN3.ClH/c1-8-6-9(2)15-12(14-8)16-11-5-3-4-10(13)7-11;/h3-7H,1-2H3,(H,14,15,16);1H
InChIKeyWIHRZNOMUVTWAR-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.91
Rot. Bonds2

About N-(3-chlorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride

N-(3-chlorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride (PubChem CID 2969483) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
PubChem CID2969483
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC NameN-(3-chlorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
SMILESCc1cc(C)nc(Nc2cccc(Cl)c2)n1.Cl
InChIInChI=1S/C12H12ClN3.ClH/c1-8-6-9(2)15-12(14-8)16-11-5-3-4-10(13)7-11;/h3-7H,1-2H3,(H,14,15,16);1H
InChIKeyWIHRZNOMUVTWAR-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The IUPAC name of N-(3-chlorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride (CID 2969483) is N-(3-chlorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride.
What is the SMILES notation for N-(3-chlorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The canonical SMILES for N-(3-chlorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride is Cc1cc(C)nc(Nc2cccc(Cl)c2)n1.Cl.
What is the InChIKey of N-(3-chlorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The InChIKey is WIHRZNOMUVTWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3.ClH/c1-8-6-9(2)15-12(14-8)16-11-5-3-4-10(13)7-11;/h3-7H,1-2H3,(H,14,15,16);1H.
What are the key properties of N-(3-chlorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride?
N-(3-chlorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride has a molecular weight of 270.16 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 2969483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).