4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine

C15H16ClN3 — CID 158538764

IUPAC4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine
SMILESNc1nc(CC2CCC2)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H16ClN3/c16-12-6-4-11(5-7-12)14-9-13(18-15(17)19-14)8-10-2-1-3-10/h4-7,9-10H,1-3,8H2,(H2,17,18,19)
InChIKeyWGYQOGWSMZNFNH-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.72
Rot. Bonds3

About 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine

4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine (PubChem CID 158538764) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine
PubChem CID158538764
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine
SMILESNc1nc(CC2CCC2)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H16ClN3/c16-12-6-4-11(5-7-12)14-9-13(18-15(17)19-14)8-10-2-1-3-10/h4-7,9-10H,1-3,8H2,(H2,17,18,19)
InChIKeyWGYQOGWSMZNFNH-UHFFFAOYSA-N
XLogP3.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine (CID 158538764) is 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine is Nc1nc(CC2CCC2)cc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine?
The InChIKey is WGYQOGWSMZNFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c16-12-6-4-11(5-7-12)14-9-13(18-15(17)19-14)8-10-2-1-3-10/h4-7,9-10H,1-3,8H2,(H2,17,18,19).
What are the key properties of 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine?
4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine has a molecular weight of 273.77 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 158538764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).