2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one

C10H14N2O2 — CID 12945288

IUPAC2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H14N2O2/c1-2-5-14-9-6-8(13)11-10(12-9)7-3-4-7/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyAFSYXEDJXCKYMV-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.44
Rot. Bonds4

About 2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one

2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one (PubChem CID 12945288) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one
PubChem CID12945288
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H14N2O2/c1-2-5-14-9-6-8(13)11-10(12-9)7-3-4-7/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyAFSYXEDJXCKYMV-UHFFFAOYSA-N
XLogP1.44
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.44
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
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240401
2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240404
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
2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241791

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one (CID 12945288) is 2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one is CCCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one?
The InChIKey is AFSYXEDJXCKYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-5-14-9-6-8(13)11-10(12-9)7-3-4-7/h6-7H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one?
2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one has a molecular weight of 194.23 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 12945288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).