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

C10H14N4O2 — CID 136956638

IUPAC2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCC(=O)NC2)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O2/c1-6-12-8(4-10(16)13-6)14-7-2-3-9(15)11-5-7/h4,7H,2-3,5H2,1H3,(H,11,15)(H2,12,13,14,16)
InChIKeyDNZQOWXRKYDZOW-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.23
Rot. Bonds2

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

2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136956638) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136956638
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCC(=O)NC2)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O2/c1-6-12-8(4-10(16)13-6)14-7-2-3-9(15)11-5-7/h4,7H,2-3,5H2,1H3,(H,11,15)(H2,12,13,14,16)
InChIKeyDNZQOWXRKYDZOW-UHFFFAOYSA-N
XLogP-0.23
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142364678
3-(4-Iodo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142385861
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-4-(1-piperidinyl)butanamide
CID 136216788
2-(1-aminoethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136314515
2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136568411
2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136568857
N-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 136663717
2-ethyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805294
2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805299
2-ethyl-4-[ethyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805303
2-ethyl-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805318

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136956638) is 2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is Cc1nc(NC2CCC(=O)NC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is DNZQOWXRKYDZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6-12-8(4-10(16)13-6)14-7-2-3-9(15)11-5-7/h4,7H,2-3,5H2,1H3,(H,11,15)(H2,12,13,14,16).
What are the key properties of 2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 222.25 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).