N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine

C20H20ClN5 — CID 142466555

IUPACN-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine
SMILESClc1cccc(Nc2cc(-c3ccncc3)nc(C3CCCNC3)n2)c1
InChIInChI=1S/C20H20ClN5/c21-16-4-1-5-17(11-16)24-19-12-18(14-6-9-22-10-7-14)25-20(26-19)15-3-2-8-23-13-15/h1,4-7,9-12,15,23H,2-3,8,13H2,(H,24,25,26)
InChIKeyUJRXOINCBJJEEV-UHFFFAOYSA-N
MW365.87 g/mol
LogP4.40
Rot. Bonds4

About N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine

N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine (PubChem CID 142466555) has the molecular formula C20H20ClN5 and a molecular weight of 365.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine
PubChem CID142466555
Molecular FormulaC20H20ClN5
Molecular Weight365.87 g/mol
Exact Mass365.14
IUPAC NameN-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine
SMILESClc1cccc(Nc2cc(-c3ccncc3)nc(C3CCCNC3)n2)c1
InChIInChI=1S/C20H20ClN5/c21-16-4-1-5-17(11-16)24-19-12-18(14-6-9-22-10-7-14)25-20(26-19)15-3-2-8-23-13-15/h1,4-7,9-12,15,23H,2-3,8,13H2,(H,24,25,26)
InChIKeyUJRXOINCBJJEEV-UHFFFAOYSA-N
XLogP4.40
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine (CID 142466555) is N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine is Clc1cccc(Nc2cc(-c3ccncc3)nc(C3CCCNC3)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is UJRXOINCBJJEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5/c21-16-4-1-5-17(11-16)24-19-12-18(14-6-9-22-10-7-14)25-20(26-19)15-3-2-8-23-13-15/h1,4-7,9-12,15,23H,2-3,8,13H2,(H,24,25,26).
What are the key properties of N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine?
N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 365.87 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 142466555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).