2-cyclopropyl-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one

C13H18N2O3 — CID 103241614

IUPAC2-cyclopropyl-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC2CCOCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H18N2O3/c16-11-7-12(15-13(14-11)10-1-2-10)18-8-9-3-5-17-6-4-9/h7,9-10H,1-6,8H2,(H,14,15,16)
InChIKeyLCLCKEVZKZHAGK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.45
Rot. Bonds4

About 2-cyclopropyl-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one

2-cyclopropyl-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 103241614) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID103241614
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-cyclopropyl-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC2CCOCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H18N2O3/c16-11-7-12(15-13(14-11)10-1-2-10)18-8-9-3-5-17-6-4-9/h7,9-10H,1-6,8H2,(H,14,15,16)
InChIKeyLCLCKEVZKZHAGK-UHFFFAOYSA-N
XLogP1.45
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one (CID 103241614) is 2-cyclopropyl-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one is O=c1cc(OCC2CCOCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is LCLCKEVZKZHAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-11-7-12(15-13(14-11)10-1-2-10)18-8-9-3-5-17-6-4-9/h7,9-10H,1-6,8H2,(H,14,15,16).
What are the key properties of 2-cyclopropyl-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 250.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).