4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

C10H14N4O2 — CID 136956747

IUPAC4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CC(Nc2cc(=O)[nH]cn2)CCC1=O
InChIInChI=1S/C10H14N4O2/c1-14-5-7(2-3-10(14)16)13-8-4-9(15)12-6-11-8/h4,6-7H,2-3,5H2,1H3,(H2,11,12,13,15)
InChIKeyNCEZRFLCTMUJNZ-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.20
Rot. Bonds2

About 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136956747) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136956747
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CC(Nc2cc(=O)[nH]cn2)CCC1=O
InChIInChI=1S/C10H14N4O2/c1-14-5-7(2-3-10(14)16)13-8-4-9(15)12-6-11-8/h4,6-7H,2-3,5H2,1H3,(H2,11,12,13,15)
InChIKeyNCEZRFLCTMUJNZ-UHFFFAOYSA-N
XLogP-0.20
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 136217050
6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
3-(4-Fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 155219511
3-(6-Oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 134580135
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103
Methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 142367643
N,N-dimethyl-2-[[[(6-oxopiperidin-3-yl)amino]-(prop-2-enylamino)methylidene]amino]acetamide
CID 120338480
N,N-dimethyl-2-[[[(1-methyl-6-oxopiperidin-3-yl)amino]-(prop-2-enylamino)methylidene]amino]acetamide
CID 120338692
N-[(6-hydroxy-4-pyrimidinyl)methyl]-4-(1-piperidinyl)butanamide
CID 136216778
N-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 136663717
4-[ethyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805308
4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805315

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136956747) is 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is CN1CC(Nc2cc(=O)[nH]cn2)CCC1=O.
What is the InChIKey of 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is NCEZRFLCTMUJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-14-5-7(2-3-10(14)16)13-8-4-9(15)12-6-11-8/h4,6-7H,2-3,5H2,1H3,(H2,11,12,13,15).
What are the key properties of 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 222.25 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).