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

C16H19ClN4 — CID 112883847

IUPACN-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESClc1ccc(CCNc2nccc(N3CCCC3)n2)cc1
InChIInChI=1S/C16H19ClN4/c17-14-5-3-13(4-6-14)7-9-18-16-19-10-8-15(20-16)21-11-1-2-12-21/h3-6,8,10H,1-2,7,9,11-12H2,(H,18,19,20)
InChIKeySTZJSMOXJRTESE-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.38
Rot. Bonds5

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

N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 112883847) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID112883847
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESClc1ccc(CCNc2nccc(N3CCCC3)n2)cc1
InChIInChI=1S/C16H19ClN4/c17-14-5-3-13(4-6-14)7-9-18-16-19-10-8-15(20-16)21-11-1-2-12-21/h3-6,8,10H,1-2,7,9,11-12H2,(H,18,19,20)
InChIKeySTZJSMOXJRTESE-UHFFFAOYSA-N
XLogP3.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine
CID 112884508
N-[2-(4-chlorophenyl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897124
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384
4-[2-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888512
N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886390
4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112893866
6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874928
N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868832
N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885130
4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112897132
4-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112892567
2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine
CID 112882257

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 112883847) is N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine is Clc1ccc(CCNc2nccc(N3CCCC3)n2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is STZJSMOXJRTESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c17-14-5-3-13(4-6-14)7-9-18-16-19-10-8-15(20-16)21-11-1-2-12-21/h3-6,8,10H,1-2,7,9,11-12H2,(H,18,19,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 302.81 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112883847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).