1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine

C13H14ClN3 — CID 62755555

IUPAC1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(-c2ccccc2Cl)nc1
InChIInChI=1S/C13H14ClN3/c1-9(15)6-10-7-16-13(17-8-10)11-4-2-3-5-12(11)14/h2-5,7-9H,6,15H2,1H3
InChIKeyFWDROFFCPKDOHB-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.69
Rot. Bonds3

About 1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine

1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine (PubChem CID 62755555) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine
PubChem CID62755555
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(-c2ccccc2Cl)nc1
InChIInChI=1S/C13H14ClN3/c1-9(15)6-10-7-16-13(17-8-10)11-4-2-3-5-12(11)14/h2-5,7-9H,6,15H2,1H3
InChIKeyFWDROFFCPKDOHB-UHFFFAOYSA-N
XLogP2.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine (CID 62755555) is 1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine is CC(N)Cc1cnc(-c2ccccc2Cl)nc1.
What is the InChIKey of 1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine?
The InChIKey is FWDROFFCPKDOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-9(15)6-10-7-16-13(17-8-10)11-4-2-3-5-12(11)14/h2-5,7-9H,6,15H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine?
1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine has a molecular weight of 247.73 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine is sourced from PubChem (CID 62755555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).