4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine

C15H17ClN4 — CID 54584009

IUPAC4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine
SMILESClc1ccc(-c2ccnc(NC3CCNCC3)n2)cc1
InChIInChI=1S/C15H17ClN4/c16-12-3-1-11(2-4-12)14-7-10-18-15(20-14)19-13-5-8-17-9-6-13/h1-4,7,10,13,17H,5-6,8-9H2,(H,18,19,20)
InChIKeyCRLCYUHWQKIZTC-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.96
Rot. Bonds3

About 4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine

4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine (PubChem CID 54584009) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine
PubChem CID54584009
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine
SMILESClc1ccc(-c2ccnc(NC3CCNCC3)n2)cc1
InChIInChI=1S/C15H17ClN4/c16-12-3-1-11(2-4-12)14-7-10-18-15(20-14)19-13-5-8-17-9-6-13/h1-4,7,10,13,17H,5-6,8-9H2,(H,18,19,20)
InChIKeyCRLCYUHWQKIZTC-UHFFFAOYSA-N
XLogP2.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine (CID 54584009) is 4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine is Clc1ccc(-c2ccnc(NC3CCNCC3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine?
The InChIKey is CRLCYUHWQKIZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-12-3-1-11(2-4-12)14-7-10-18-15(20-14)19-13-5-8-17-9-6-13/h1-4,7,10,13,17H,5-6,8-9H2,(H,18,19,20).
What are the key properties of 4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine?
4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine has a molecular weight of 288.78 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 54584009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).