2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one

C11H18N4O — CID 136740718

IUPAC2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCc1nc(CNC2CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-8-14-10(5-11(16)15-8)7-13-9-3-2-4-12-6-9/h5,9,12-13H,2-4,6-7H2,1H3,(H,14,15,16)
InChIKeyQWTIJDWIZVUDSK-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.08
Rot. Bonds3

About 2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one

2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 136740718) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one
PubChem CID136740718
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCc1nc(CNC2CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-8-14-10(5-11(16)15-8)7-13-9-3-2-4-12-6-9/h5,9,12-13H,2-4,6-7H2,1H3,(H,14,15,16)
InChIKeyQWTIJDWIZVUDSK-UHFFFAOYSA-N
XLogP-0.08
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one
CID 136740724
N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine
CID 65246088
(3R)-N-(pyrazin-2-ylmethyl)piperidin-3-amine
CID 71636732
N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride
CID 75994063
(3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride
CID 71640488
N-[(6-methylnaphthalen-2-yl)methyl]piperidin-3-amine
CID 115118209
4-(cyclopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136955900
6,8-dimethyl-2-[[[(3S)-piperidin-3-yl]amino]methyl]-1H-quinolin-4-one;dihydrochloride
CID 154900377
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 112668644
2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one
CID 136740848
N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine
CID 131204068
(3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide
CID 136822796

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one (CID 136740718) is 2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one is Cc1nc(CNC2CCCNC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is QWTIJDWIZVUDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-14-10(5-11(16)15-8)7-13-9-3-2-4-12-6-9/h5,9,12-13H,2-4,6-7H2,1H3,(H,14,15,16).
What are the key properties of 2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one?
2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136740718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).