2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one

C10H15N3O — CID 18726934

IUPAC2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CC2CCNCC2)[nH]1
InChIInChI=1S/C10H15N3O/c14-10-3-6-12-9(13-10)7-8-1-4-11-5-2-8/h3,6,8,11H,1-2,4-5,7H2,(H,12,13,14)
InChIKeyNPGARSJIKKFWKE-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.31
Rot. Bonds2

About 2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one

2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 18726934) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
PubChem CID18726934
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CC2CCNCC2)[nH]1
InChIInChI=1S/C10H15N3O/c14-10-3-6-12-9(13-10)7-8-1-4-11-5-2-8/h3,6,8,11H,1-2,4-5,7H2,(H,12,13,14)
InChIKeyNPGARSJIKKFWKE-UHFFFAOYSA-N
XLogP0.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopentylpyrimidin-4-ol
CID 45787582
2-Cyclobutylpyrimidin-4-ol
CID 45787579
2-Piperidin-4-yl-1H-pyrimidin-6-one;dihydrochloride
CID 137971720
2-Cyclohexylpyrimidin-4(3H)-one
CID 13619896
2-[(1r,4r)-4-Aminocyclohexyl]pyrimidin-4-ol
CID 82469023
2-piperidin-4-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103186
2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136313371
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 8-methyl
CID 529098
2-Butylpyrimidin-4-ol
CID 10511035
2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one
CID 18726933
2-(2-Methylpropyl)pyrimidin-4-ol
CID 20081655
2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one
CID 57306466

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one (CID 18726934) is 2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one is O=c1ccnc(CC2CCNCC2)[nH]1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is NPGARSJIKKFWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10-3-6-12-9(13-10)7-8-1-4-11-5-2-8/h3,6,8,11H,1-2,4-5,7H2,(H,12,13,14).
What are the key properties of 2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one?
2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 193.25 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 18726934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).