2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one

C10H16N4O — CID 136666195

IUPAC2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCCC(N)C2)n1
InChIInChI=1S/C10H16N4O/c1-7-5-9(15)13-10(12-7)14-4-2-3-8(11)6-14/h5,8H,2-4,6,11H2,1H3,(H,12,13,15)
InChIKeyKTMJHQMCXJOFOC-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.01
Rot. Bonds1

About 2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one

2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136666195) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136666195
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCCC(N)C2)n1
InChIInChI=1S/C10H16N4O/c1-7-5-9(15)13-10(12-7)14-4-2-3-8(11)6-14/h5,8H,2-4,6,11H2,1H3,(H,12,13,15)
InChIKeyKTMJHQMCXJOFOC-UHFFFAOYSA-N
XLogP0.01
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137058231
2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136920533
6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 136560083
2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 135536917
2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 136923002
1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-amine;hydrochloride
CID 71638450
1-(2-chloro-6-methylpyrimidin-4-yl)piperidin-3-amine;hydrochloride
CID 71638277
2-(3-aminopyrrolidin-1-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 102549139
2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 136559544
2-(4-aminopiperidin-1-yl)-4-ethyl-1H-pyrimidin-6-one
CID 136740823
(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine
CID 112634785

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one (CID 136666195) is 2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCCC(N)C2)n1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is KTMJHQMCXJOFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-5-9(15)13-10(12-7)14-4-2-3-8(11)6-14/h5,8H,2-4,6,11H2,1H3,(H,12,13,15).
What are the key properties of 2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one?
2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136666195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).