3-(pyrimidin-4-ylmethylamino)piperidin-2-one

C10H14N4O — CID 62748926

IUPAC3-(pyrimidin-4-ylmethylamino)piperidin-2-one
SMILESO=C1NCCCC1NCc1ccncn1
InChIInChI=1S/C10H14N4O/c15-10-9(2-1-4-12-10)13-6-8-3-5-11-7-14-8/h3,5,7,9,13H,1-2,4,6H2,(H,12,15)
InChIKeyHKCUOZXADMXELO-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.16
Rot. Bonds3

About 3-(pyrimidin-4-ylmethylamino)piperidin-2-one

3-(pyrimidin-4-ylmethylamino)piperidin-2-one (PubChem CID 62748926) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(pyrimidin-4-ylmethylamino)piperidin-2-one.

Molecular Properties

Compound Name3-(pyrimidin-4-ylmethylamino)piperidin-2-one
PubChem CID62748926
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-(pyrimidin-4-ylmethylamino)piperidin-2-one
SMILESO=C1NCCCC1NCc1ccncn1
InChIInChI=1S/C10H14N4O/c15-10-9(2-1-4-12-10)13-6-8-3-5-11-7-14-8/h3,5,7,9,13H,1-2,4,6H2,(H,12,15)
InChIKeyHKCUOZXADMXELO-UHFFFAOYSA-N
XLogP-0.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyridin-2-ylmethylamino)piperidin-2-one
CID 62092104
3-(pyridin-2-ylmethylamino)azepan-2-one
CID 43199271
3-(pyrimidin-4-ylamino)piperidin-2-one
CID 62093434
3-(1,3-thiazol-4-ylmethylamino)azepan-2-one
CID 47350091
3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one
CID 112699998
3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one
CID 62094299
3-[(2-ethylphenyl)methylamino]piperidin-2-one
CID 62392646
4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one
CID 106182416
3-(imidazo[1,2-a]pyridin-2-ylmethylamino)piperidin-2-one
CID 62092514
3-(quinolin-8-ylmethylamino)piperidin-2-one
CID 55033199
(3S)-3-(benzylamino)azepan-2-one
CID 40582762
3-[(2-aminophenyl)methylamino]piperidin-2-one
CID 66417485

Frequently Asked Questions

What is the IUPAC name of 3-(pyrimidin-4-ylmethylamino)piperidin-2-one?
The IUPAC name of 3-(pyrimidin-4-ylmethylamino)piperidin-2-one (CID 62748926) is 3-(pyrimidin-4-ylmethylamino)piperidin-2-one.
What is the SMILES notation for 3-(pyrimidin-4-ylmethylamino)piperidin-2-one?
The canonical SMILES for 3-(pyrimidin-4-ylmethylamino)piperidin-2-one is O=C1NCCCC1NCc1ccncn1.
What is the InChIKey of 3-(pyrimidin-4-ylmethylamino)piperidin-2-one?
The InChIKey is HKCUOZXADMXELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c15-10-9(2-1-4-12-10)13-6-8-3-5-11-7-14-8/h3,5,7,9,13H,1-2,4,6H2,(H,12,15).
What are the key properties of 3-(pyrimidin-4-ylmethylamino)piperidin-2-one?
3-(pyrimidin-4-ylmethylamino)piperidin-2-one has a molecular weight of 206.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrimidin-4-ylmethylamino)piperidin-2-one is sourced from PubChem (CID 62748926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).