2-cyclopropyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C13H19N3O2 — CID 136989566

IUPAC2-cyclopropyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC(CO)C2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H19N3O2/c17-8-9-2-1-5-16(7-9)11-6-12(18)15-13(14-11)10-3-4-10/h6,9-10,17H,1-5,7-8H2,(H,14,15,18)
InChIKeyKPPIPXBFFCCUEX-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.86
Rot. Bonds3

About 2-cyclopropyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136989566) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136989566
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyclopropyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC(CO)C2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H19N3O2/c17-8-9-2-1-5-16(7-9)11-6-12(18)15-13(14-11)10-3-4-10/h6,9-10,17H,1-5,7-8H2,(H,14,15,18)
InChIKeyKPPIPXBFFCCUEX-UHFFFAOYSA-N
XLogP0.86
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586410
2-Amino-6-[3-(hydroxymethyl)piperidin-1-YL]pyrimidin-4(3H)-one
CID 136121124
2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136733832
2-amino-4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136733833
4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136759214
2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759218
2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766320
2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766326
4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136766327
2-ethyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772448
4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136772449
2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772453

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136989566) is 2-cyclopropyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is O=c1cc(N2CCCC(CO)C2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is KPPIPXBFFCCUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-8-9-2-1-5-16(7-9)11-6-12(18)15-13(14-11)10-3-4-10/h6,9-10,17H,1-5,7-8H2,(H,14,15,18).
What are the key properties of 2-cyclopropyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136989566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).