4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

C9H12N4O2 — CID 136956540

IUPAC4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=C1NCCCC1Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H12N4O2/c14-8-4-7(11-5-12-8)13-6-2-1-3-10-9(6)15/h4-6H,1-3H2,(H,10,15)(H2,11,12,13,14)
InChIKeyKELVXXAKHWPVIA-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.54
Rot. Bonds2

About 4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136956540) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136956540
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=C1NCCCC1Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H12N4O2/c14-8-4-7(11-5-12-8)13-6-2-1-3-10-9(6)15/h4-6H,1-3H2,(H,10,15)(H2,11,12,13,14)
InChIKeyKELVXXAKHWPVIA-UHFFFAOYSA-N
XLogP-0.54
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-(6-Oxopyrimidin-1-yl)piperidine-2,6-dione
CID 138467610
3-(4-Bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142367462
Methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 142367643
(2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide
CID 170132858
2-[4-(2-amino-6-oxo-1,6-dihydropyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 136663745
4-[(3R)-3-aminopiperidin-1-yl]-1H-pyrimidin-6-one
CID 136873266
2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 136956224
4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136956230
4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956291

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136956540) is 4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is O=C1NCCCC1Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is KELVXXAKHWPVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-8-4-7(11-5-12-8)13-6-2-1-3-10-9(6)15/h4-6H,1-3H2,(H,10,15)(H2,11,12,13,14).
What are the key properties of 4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 208.22 g/mol, XLogP of -0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).