6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine

C15H17ClN4 — CID 11335230

IUPAC6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESClc1cc(Nc2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H17ClN4/c16-13-11-14(17-12-7-3-1-4-8-12)19-15(18-13)20-9-5-2-6-10-20/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,17,18,19)
InChIKeyLZNZYWKVTJCCFP-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.86
Rot. Bonds3

About 6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine

6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 11335230) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID11335230
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESClc1cc(Nc2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H17ClN4/c16-13-11-14(17-12-7-3-1-4-8-12)19-15(18-13)20-9-5-2-6-10-20/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,17,18,19)
InChIKeyLZNZYWKVTJCCFP-UHFFFAOYSA-N
XLogP3.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine (CID 11335230) is 6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine is Clc1cc(Nc2ccccc2)nc(N2CCCCC2)n1.
What is the InChIKey of 6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is LZNZYWKVTJCCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-13-11-14(17-12-7-3-1-4-8-12)19-15(18-13)20-9-5-2-6-10-20/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,17,18,19).
What are the key properties of 6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine?
6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 288.78 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 11335230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).