4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine

C14H16ClN5 — CID 79910450

IUPAC4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine
SMILESNc1cncnc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H16ClN5/c15-11-2-1-3-12(8-11)19-4-6-20(7-5-19)14-13(16)9-17-10-18-14/h1-3,8-10H,4-7,16H2
InChIKeyIHUAZNZJARNJPK-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.04
Rot. Bonds2

About 4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine

4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine (PubChem CID 79910450) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine
PubChem CID79910450
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine
SMILESNc1cncnc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H16ClN5/c15-11-2-1-3-12(8-11)19-4-6-20(7-5-19)14-13(16)9-17-10-18-14/h1-3,8-10H,4-7,16H2
InChIKeyIHUAZNZJARNJPK-UHFFFAOYSA-N
XLogP2.04
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 19138163
4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
CID 80757578
1-[5-amino-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19139209
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970369
6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
CID 78988842
4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139109
6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 19139127
2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine
CID 79075282
4-N-benzyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19136143
1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 105367643
4-N-(3-bromophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139169
N'-[5-amino-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19139147

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine (CID 79910450) is 4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine is Nc1cncnc1N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The InChIKey is IHUAZNZJARNJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c15-11-2-1-3-12(8-11)19-4-6-20(7-5-19)14-13(16)9-17-10-18-14/h1-3,8-10H,4-7,16H2.
What are the key properties of 4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine?
4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine has a molecular weight of 289.77 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine is sourced from PubChem (CID 79910450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).