3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one

C10H14N4O — CID 107590126

IUPAC3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one
SMILESCNC1CCCN(c2cncnc2)C1=O
InChIInChI=1S/C10H14N4O/c1-11-9-3-2-4-14(10(9)15)8-5-12-7-13-6-8/h5-7,9,11H,2-4H2,1H3
InChIKeySYWBUYXXQNGMAO-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.19
Rot. Bonds2

About 3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one

3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one (PubChem CID 107590126) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one
PubChem CID107590126
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one
SMILESCNC1CCCN(c2cncnc2)C1=O
InChIInChI=1S/C10H14N4O/c1-11-9-3-2-4-14(10(9)15)8-5-12-7-13-6-8/h5-7,9,11H,2-4H2,1H3
InChIKeySYWBUYXXQNGMAO-UHFFFAOYSA-N
XLogP0.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-1-phenylazepan-2-one
CID 20589821
1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one
CID 107579697
1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one
CID 114253939
1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one
CID 114223180
1-(4-chloro-3-nitrophenyl)-3-(methylamino)piperidin-2-one
CID 107812165
(3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 124886074
1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 54353900
1-(2-bromo-4-iodophenyl)-3-(methylamino)piperidin-2-one
CID 114261349
1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one
CID 54973015
1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one
CID 113445697
6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one
CID 20590175
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one?
The IUPAC name of 3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one (CID 107590126) is 3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one.
What is the SMILES notation for 3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one?
The canonical SMILES for 3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one is CNC1CCCN(c2cncnc2)C1=O.
What is the InChIKey of 3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one?
The InChIKey is SYWBUYXXQNGMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-11-9-3-2-4-14(10(9)15)8-5-12-7-13-6-8/h5-7,9,11H,2-4H2,1H3.
What are the key properties of 3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one?
3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one is sourced from PubChem (CID 107590126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).