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

C15H27N5O — CID 136972852

IUPAC4-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one
SMILESCCCC(CN)N1CCN(c2cc(=O)[nH]c(CC)n2)CC1
InChIInChI=1S/C15H27N5O/c1-3-5-12(11-16)19-6-8-20(9-7-19)14-10-15(21)18-13(4-2)17-14/h10,12H,3-9,11,16H2,1-2H3,(H,17,18,21)
InChIKeyPCHFPTHLJWQBBO-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.58
Rot. Bonds6

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

4-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136972852) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136972852
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name4-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one
SMILESCCCC(CN)N1CCN(c2cc(=O)[nH]c(CC)n2)CC1
InChIInChI=1S/C15H27N5O/c1-3-5-12(11-16)19-6-8-20(9-7-19)14-10-15(21)18-13(4-2)17-14/h10,12H,3-9,11,16H2,1-2H3,(H,17,18,21)
InChIKeyPCHFPTHLJWQBBO-UHFFFAOYSA-N
XLogP0.58
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 136958753
2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136989887
4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 137008600
2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009914
2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008951
4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 136979055
2-[4-(5,6-dimethylpyrazin-2-yl)piperazin-1-yl]pentan-1-amine
CID 114474787
2-ethyl-4-[4-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958171
2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977975
2-ethyl-4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009116
2-ethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009557
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136989428

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one (CID 136972852) is 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one is CCCC(CN)N1CCN(c2cc(=O)[nH]c(CC)n2)CC1.
What is the InChIKey of 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is PCHFPTHLJWQBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-5-12(11-16)19-6-8-20(9-7-19)14-10-15(21)18-13(4-2)17-14/h10,12H,3-9,11,16H2,1-2H3,(H,17,18,21).
What are the key properties of 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one?
4-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 293.41 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136972852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).