2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one

C13H19N3O — CID 137258814

IUPAC2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCCCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H19N3O/c1-9-4-2-3-7-16(9)11-8-12(17)15-13(14-11)10-5-6-10/h8-10H,2-7H2,1H3,(H,14,15,17)
InChIKeyWXJOXLLKNQVOLI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.03
Rot. Bonds2

About 2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 137258814) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID137258814
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCCCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H19N3O/c1-9-4-2-3-7-16(9)11-8-12(17)15-13(14-11)10-5-6-10/h8-10H,2-7H2,1H3,(H,14,15,17)
InChIKeyWXJOXLLKNQVOLI-UHFFFAOYSA-N
XLogP2.03
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135416704
2-isopropyl-6-[(2-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046574
2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009787
2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009789
2-cyclopropyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009790
2-propan-2-yl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009792
2-ethyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009795
2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009796
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2-(1-ethyl-6-methylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 170102342
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
4-amino-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 136077756

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 137258814) is 2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one is CC1CCCCN1c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is WXJOXLLKNQVOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-4-2-3-7-16(9)11-8-12(17)15-13(14-11)10-5-6-10/h8-10H,2-7H2,1H3,(H,14,15,17).
What are the key properties of 2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 233.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137258814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).