4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one

C13H22ClN5O — CID 136972692

IUPAC4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
SMILESCCC(CCN)N1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C13H22ClN5O/c1-2-10(3-4-15)18-5-7-19(8-6-18)12-11(14)13(20)17-9-16-12/h9-10H,2-8,15H2,1H3,(H,16,17,20)
InChIKeyNCGDLDXNSDFPNJ-UHFFFAOYSA-N
MW299.81 g/mol
LogP0.67
Rot. Bonds5

About 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one

4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136972692) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
PubChem CID136972692
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
SMILESCCC(CCN)N1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C13H22ClN5O/c1-2-10(3-4-15)18-5-7-19(8-6-18)12-11(14)13(20)17-9-16-12/h9-10H,2-8,15H2,1H3,(H,16,17,20)
InChIKeyNCGDLDXNSDFPNJ-UHFFFAOYSA-N
XLogP0.67
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008935
4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972863
3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine
CID 105368917
3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
5-chloro-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136979695
5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 137008987
4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 137009378
3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 60869702
5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136989959
5-chloro-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136989957
4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136978257
3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 61375225

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one (CID 136972692) is 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one is CCC(CCN)N1CCN(c2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is NCGDLDXNSDFPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-2-10(3-4-15)18-5-7-19(8-6-18)12-11(14)13(20)17-9-16-12/h9-10H,2-8,15H2,1H3,(H,16,17,20).
What are the key properties of 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one?
4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 299.81 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136972692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).