4-(cyclopropylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one

C11H16N2O2 — CID 103240780

IUPAC4-(cyclopropylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCC2CC2)cc(=O)[nH]1
InChIInChI=1S/C11H16N2O2/c1-7(2)11-12-9(14)5-10(13-11)15-6-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyGNOCDCGLZXHJDF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.68
Rot. Bonds4

About 4-(cyclopropylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one

4-(cyclopropylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103240780) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103240780
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(cyclopropylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCC2CC2)cc(=O)[nH]1
InChIInChI=1S/C11H16N2O2/c1-7(2)11-12-9(14)5-10(13-11)15-6-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyGNOCDCGLZXHJDF-UHFFFAOYSA-N
XLogP1.68
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one
CID 134556313
4-(cyclopropylmethoxy)-2-ethyl-5-fluoro-1H-pyrimidin-6-one
CID 134559282
2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one
CID 139460569
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240401
2-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240409
2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240545
2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240550
2-propan-2-yl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240554
2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241786
4-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241794

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclopropylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one (CID 103240780) is 4-(cyclopropylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclopropylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclopropylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OCC2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-(cyclopropylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is GNOCDCGLZXHJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)11-12-9(14)5-10(13-11)15-6-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,12,13,14).
What are the key properties of 4-(cyclopropylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(cyclopropylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).