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

C13H15Cl2N3O — CID 2967754

IUPACN-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
SMILESCOc1ccc(Nc2nc(C)cc(C)n2)cc1Cl.Cl
InChIInChI=1S/C13H14ClN3O.ClH/c1-8-6-9(2)16-13(15-8)17-10-4-5-12(18-3)11(14)7-10;/h4-7H,1-3H3,(H,15,16,17);1H
InChIKeyJWYOUIFLNYGVKD-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.92
Rot. Bonds3

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

N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride (PubChem CID 2967754) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
PubChem CID2967754
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
SMILESCOc1ccc(Nc2nc(C)cc(C)n2)cc1Cl.Cl
InChIInChI=1S/C13H14ClN3O.ClH/c1-8-6-9(2)16-13(15-8)17-10-4-5-12(18-3)11(14)7-10;/h4-7H,1-3H3,(H,15,16,17);1H
InChIKeyJWYOUIFLNYGVKD-UHFFFAOYSA-N
XLogP3.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride (CID 2967754) is N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride is COc1ccc(Nc2nc(C)cc(C)n2)cc1Cl.Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The InChIKey is JWYOUIFLNYGVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O.ClH/c1-8-6-9(2)16-13(15-8)17-10-4-5-12(18-3)11(14)7-10;/h4-7H,1-3H3,(H,15,16,17);1H.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride?
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride has a molecular weight of 300.19 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 2967754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).