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

C9H12N4O2 — CID 136956640

IUPAC4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=C1CCC(Nc2cc(=O)[nH]cn2)CN1
InChIInChI=1S/C9H12N4O2/c14-8-2-1-6(4-10-8)13-7-3-9(15)12-5-11-7/h3,5-6H,1-2,4H2,(H,10,14)(H2,11,12,13,15)
InChIKeyVWQFJOYMHRAHMC-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.54
Rot. Bonds2

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

4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136956640) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136956640
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=C1CCC(Nc2cc(=O)[nH]cn2)CN1
InChIInChI=1S/C9H12N4O2/c14-8-2-1-6(4-10-8)13-7-3-9(15)12-5-11-7/h3,5-6H,1-2,4H2,(H,10,14)(H2,11,12,13,15)
InChIKeyVWQFJOYMHRAHMC-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

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-[(6-hydroxy-4-pyrimidinyl)methyl]-4-(1-piperidinyl)butanamide
CID 136216778
4-[ethyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805308
4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805315
4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805325
4-[(3R)-3-aminopiperidin-1-yl]-1H-pyrimidin-6-one
CID 136873266
5-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880890
2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 136956224

Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136956640) is 4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is O=C1CCC(Nc2cc(=O)[nH]cn2)CN1.
What is the InChIKey of 4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is VWQFJOYMHRAHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-8-2-1-6(4-10-8)13-7-3-9(15)12-5-11-7/h3,5-6H,1-2,4H2,(H,10,14)(H2,11,12,13,15).
What are the key properties of 4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
4-[(6-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-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).