2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine

C15H18ClN3 — CID 62191091

IUPAC2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(Cc2ccccc2Cl)n1
InChIInChI=1S/C15H18ClN3/c1-3-6-12-10-14(17-2)19-15(18-12)9-11-7-4-5-8-13(11)16/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,17,18,19)
InChIKeyVGSORFMHYGJATH-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.71
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine

2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 62191091) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
PubChem CID62191091
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(Cc2ccccc2Cl)n1
InChIInChI=1S/C15H18ClN3/c1-3-6-12-10-14(17-2)19-15(18-12)9-11-7-4-5-8-13(11)16/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,17,18,19)
InChIKeyVGSORFMHYGJATH-UHFFFAOYSA-N
XLogP3.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine (CID 62191091) is 2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine is CCCc1cc(NC)nc(Cc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is VGSORFMHYGJATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-3-6-12-10-14(17-2)19-15(18-12)9-11-7-4-5-8-13(11)16/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 62191091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).