N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine

C17H21ClN4 — CID 112884508

IUPACN-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine
SMILESClc1cccc(CCNc2nccc(N3CCCCC3)n2)c1
InChIInChI=1S/C17H21ClN4/c18-15-6-4-5-14(13-15)7-9-19-17-20-10-8-16(21-17)22-11-2-1-3-12-22/h4-6,8,10,13H,1-3,7,9,11-12H2,(H,19,20,21)
InChIKeyQXZUDRHXKBBQAC-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.77
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine

N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine (PubChem CID 112884508) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine
PubChem CID112884508
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine
SMILESClc1cccc(CCNc2nccc(N3CCCCC3)n2)c1
InChIInChI=1S/C17H21ClN4/c18-15-6-4-5-14(13-15)7-9-19-17-20-10-8-16(21-17)22-11-2-1-3-12-22/h4-6,8,10,13H,1-3,7,9,11-12H2,(H,19,20,21)
InChIKeyQXZUDRHXKBBQAC-UHFFFAOYSA-N
XLogP3.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885130
N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883847
2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112901442
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109298111
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891919
4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112893866
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
CID 112898366
N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-methyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 66903731
N-[2-(4-chlorophenyl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897124
N-[2-(3-methoxyphenyl)ethyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112895248
4-N-butyl-2-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 112900564

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine (CID 112884508) is N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine is Clc1cccc(CCNc2nccc(N3CCCCC3)n2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is QXZUDRHXKBBQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c18-15-6-4-5-14(13-15)7-9-19-17-20-10-8-16(21-17)22-11-2-1-3-12-22/h4-6,8,10,13H,1-3,7,9,11-12H2,(H,19,20,21).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine?
N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 316.84 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112884508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).