[4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone

C14H23N5O — CID 102921171

IUPAC[4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone
SMILESNCCCCCN1CCN(C(=O)c2cncnc2)CC1
InChIInChI=1S/C14H23N5O/c15-4-2-1-3-5-18-6-8-19(9-7-18)14(20)13-10-16-12-17-11-13/h10-12H,1-9,15H2
InChIKeyLAUDYBZMIJVUGZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.36
Rot. Bonds6

About [4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone

[4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone (PubChem CID 102921171) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is [4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone
PubChem CID102921171
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name[4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone
SMILESNCCCCCN1CCN(C(=O)c2cncnc2)CC1
InChIInChI=1S/C14H23N5O/c15-4-2-1-3-5-18-6-8-19(9-7-18)14(20)13-10-16-12-17-11-13/h10-12H,1-9,15H2
InChIKeyLAUDYBZMIJVUGZ-UHFFFAOYSA-N
XLogP0.36
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(4-aminobutyl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 104785306
[4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone
CID 104668899
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 43251908
[4-(4-aminobutyl)piperazin-1-yl]-(3,5-difluorophenyl)methanone
CID 43251809
[4-(4-aminobutyl)piperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 63209284
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 104627474
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
[4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 102921173
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(3-hydroxyphenyl)methanone
CID 43251888
[3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922928
[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone
CID 43251850
1-[4-(4-aminobutyl)piperazin-1-yl]-2-methylpropan-1-one
CID 43251783

Frequently Asked Questions

What is the IUPAC name of [4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone (CID 102921171) is [4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone is NCCCCCN1CCN(C(=O)c2cncnc2)CC1.
What is the InChIKey of [4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone?
The InChIKey is LAUDYBZMIJVUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c15-4-2-1-3-5-18-6-8-19(9-7-18)14(20)13-10-16-12-17-11-13/h10-12H,1-9,15H2.
What are the key properties of [4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone?
[4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone has a molecular weight of 277.37 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 102921171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).