2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one

C11H16N2O — CID 59304193

IUPAC2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(CC2CC2)[nH]c1=O
InChIInChI=1S/C11H16N2O/c1-7(2)9-6-12-10(13-11(9)14)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyANVFEOOCOGXHNL-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.85
Rot. Bonds3

About 2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one

2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 59304193) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID59304193
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(CC2CC2)[nH]c1=O
InChIInChI=1S/C11H16N2O/c1-7(2)9-6-12-10(13-11(9)14)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyANVFEOOCOGXHNL-UHFFFAOYSA-N
XLogP1.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-pentan-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 176560736
Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
5-Methyl-2-propylpyrimidin-4(3H)-one
CID 15335387
2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 23465437
2-cyclopropyl-5-propyl-1H-pyrimidin-6-one
CID 23465438
2-cyclopropyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 23465449
2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one
CID 23465452
2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 24903697
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
5-Methyl-2-(propan-2-yl)pyrimidin-4-ol
CID 24903844
5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 24903855

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 59304193) is 2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cnc(CC2CC2)[nH]c1=O.
What is the InChIKey of 2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ANVFEOOCOGXHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)9-6-12-10(13-11(9)14)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 192.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 59304193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).