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

C15H16ClN3 — CID 63353708

IUPAC2-[(4-chlorophenyl)methyl]-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H16ClN3/c1-17-14-9-13(11-4-5-11)18-15(19-14)8-10-2-6-12(16)7-3-10/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,17,18,19)
InChIKeyZEVHQMRRQAMXRY-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.64
Rot. Bonds4

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

2-[(4-chlorophenyl)methyl]-6-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 63353708) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID63353708
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name2-[(4-chlorophenyl)methyl]-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H16ClN3/c1-17-14-9-13(11-4-5-11)18-15(19-14)8-10-2-6-12(16)7-3-10/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,17,18,19)
InChIKeyZEVHQMRRQAMXRY-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-6-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6-cyclopropyl-N-methylpyrimidin-4-amine (CID 63353708) is 2-[(4-chlorophenyl)methyl]-6-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6-cyclopropyl-N-methylpyrimidin-4-amine is CNc1cc(C2CC2)nc(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is ZEVHQMRRQAMXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-17-14-9-13(11-4-5-11)18-15(19-14)8-10-2-6-12(16)7-3-10/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,17,18,19).
What are the key properties of 2-[(4-chlorophenyl)methyl]-6-cyclopropyl-N-methylpyrimidin-4-amine?
2-[(4-chlorophenyl)methyl]-6-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 273.77 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-6-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63353708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).