N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride

C13H15Cl2N3 — CID 2968165

IUPACN-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
SMILESCc1cc(C)nc(NCc2ccc(Cl)cc2)n1.Cl
InChIInChI=1S/C13H14ClN3.ClH/c1-9-7-10(2)17-13(16-9)15-8-11-3-5-12(14)6-4-11;/h3-7H,8H2,1-2H3,(H,15,16,17);1H
InChIKeyZXBATMCSYNKHDV-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.78
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride

N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride (PubChem CID 2968165) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
PubChem CID2968165
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC NameN-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
SMILESCc1cc(C)nc(NCc2ccc(Cl)cc2)n1.Cl
InChIInChI=1S/C13H14ClN3.ClH/c1-9-7-10(2)17-13(16-9)15-8-11-3-5-12(14)6-4-11;/h3-7H,8H2,1-2H3,(H,15,16,17);1H
InChIKeyZXBATMCSYNKHDV-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride (CID 2968165) is N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride is Cc1cc(C)nc(NCc2ccc(Cl)cc2)n1.Cl.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The InChIKey is ZXBATMCSYNKHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3.ClH/c1-9-7-10(2)17-13(16-9)15-8-11-3-5-12(14)6-4-11;/h3-7H,8H2,1-2H3,(H,15,16,17);1H.
What are the key properties of N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride?
N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride has a molecular weight of 284.19 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 2968165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).