4-(1-benzylpiperazin-2-yl)-6-chloropyrimidin-2-amine

C15H18ClN5 — CID 141185058

IUPAC4-(1-benzylpiperazin-2-yl)-6-chloropyrimidin-2-amine
SMILESNc1nc(Cl)cc(C2CNCCN2Cc2ccccc2)n1
InChIInChI=1S/C15H18ClN5/c16-14-8-12(19-15(17)20-14)13-9-18-6-7-21(13)10-11-4-2-1-3-5-11/h1-5,8,13,18H,6-7,9-10H2,(H2,17,19,20)
InChIKeySNDWKKJGXFEFKU-UHFFFAOYSA-N
MW303.80 g/mol
LogP1.86
Rot. Bonds3

About 4-(1-benzylpiperazin-2-yl)-6-chloropyrimidin-2-amine

4-(1-benzylpiperazin-2-yl)-6-chloropyrimidin-2-amine (PubChem CID 141185058) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 4-(1-benzylpiperazin-2-yl)-6-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-benzylpiperazin-2-yl)-6-chloropyrimidin-2-amine
PubChem CID141185058
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name4-(1-benzylpiperazin-2-yl)-6-chloropyrimidin-2-amine
SMILESNc1nc(Cl)cc(C2CNCCN2Cc2ccccc2)n1
InChIInChI=1S/C15H18ClN5/c16-14-8-12(19-15(17)20-14)13-9-18-6-7-21(13)10-11-4-2-1-3-5-11/h1-5,8,13,18H,6-7,9-10H2,(H2,17,19,20)
InChIKeySNDWKKJGXFEFKU-UHFFFAOYSA-N
XLogP1.86
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-bis(1-benzylpiperazin-2-yl)-6-chloropyrimidine
CID 54564214
1-benzyl-2-(4-chlorophenyl)piperazine
CID 22074529
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556
(2S)-1-benzyl-2-bromopiperazine
CID 150249323
2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol
CID 120780083
1-benzyl-7-methyl-1,4-diazepane
CID 56828058
1-[(3-chlorophenyl)methyl]piperazine-2-carboxylic acid;hydrochloride
CID 156595749
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperazin-2-yl)-6-chloropyrimidin-2-amine?
The IUPAC name of 4-(1-benzylpiperazin-2-yl)-6-chloropyrimidin-2-amine (CID 141185058) is 4-(1-benzylpiperazin-2-yl)-6-chloropyrimidin-2-amine.
What is the SMILES notation for 4-(1-benzylpiperazin-2-yl)-6-chloropyrimidin-2-amine?
The canonical SMILES for 4-(1-benzylpiperazin-2-yl)-6-chloropyrimidin-2-amine is Nc1nc(Cl)cc(C2CNCCN2Cc2ccccc2)n1.
What is the InChIKey of 4-(1-benzylpiperazin-2-yl)-6-chloropyrimidin-2-amine?
The InChIKey is SNDWKKJGXFEFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c16-14-8-12(19-15(17)20-14)13-9-18-6-7-21(13)10-11-4-2-1-3-5-11/h1-5,8,13,18H,6-7,9-10H2,(H2,17,19,20).
What are the key properties of 4-(1-benzylpiperazin-2-yl)-6-chloropyrimidin-2-amine?
4-(1-benzylpiperazin-2-yl)-6-chloropyrimidin-2-amine has a molecular weight of 303.80 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperazin-2-yl)-6-chloropyrimidin-2-amine is sourced from PubChem (CID 141185058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).