4-[4-(5-aminopentyl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one

C15H27N5O — CID 136972677

IUPAC4-[4-(5-aminopentyl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCN(CCCCCN)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H27N5O/c1-2-13-17-14(12-15(21)18-13)20-10-8-19(9-11-20)7-5-3-4-6-16/h12H,2-11,16H2,1H3,(H,17,18,21)
InChIKeyRDKKCSYHNCTPIY-UHFFFAOYSA-N
MW293.42 g/mol
LogP0.58
Rot. Bonds7

About 4-[4-(5-aminopentyl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one

4-[4-(5-aminopentyl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136972677) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 4-[4-(5-aminopentyl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(5-aminopentyl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136972677
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name4-[4-(5-aminopentyl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCN(CCCCCN)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H27N5O/c1-2-13-17-14(12-15(21)18-13)20-10-8-19(9-11-20)7-5-3-4-6-16/h12H,2-11,16H2,1H3,(H,17,18,21)
InChIKeyRDKKCSYHNCTPIY-UHFFFAOYSA-N
XLogP0.58
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472863
2-Isopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472879
2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136171498
2-amino-6-[4-(5-fluoropentyl)piperazin-1-yl]pyrimidin-4(3H)-one
CID 136663750
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009570
2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009573
2,3-Dimethyl-6-piperidin-1-ylpyrimidin-4-one
CID 67744616
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2-(methylamino)-N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 164573864
[(2E)-2-[3-amino-1-(methylamino)-3-oxoprop-1-enyl]imino-2-piperidin-1-ylethylidene]tungsten
CID 172189411
N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 175761646

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-aminopentyl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(5-aminopentyl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one (CID 136972677) is 4-[4-(5-aminopentyl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(5-aminopentyl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(5-aminopentyl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N2CCN(CCCCCN)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[4-(5-aminopentyl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is RDKKCSYHNCTPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-2-13-17-14(12-15(21)18-13)20-10-8-19(9-11-20)7-5-3-4-6-16/h12H,2-11,16H2,1H3,(H,17,18,21).
What are the key properties of 4-[4-(5-aminopentyl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one?
4-[4-(5-aminopentyl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 293.42 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-aminopentyl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136972677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).