4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one

C9H12N2O3 — CID 103240772

IUPAC4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCC2CC2)nc[nH]c1=O
InChIInChI=1S/C9H12N2O3/c1-13-7-8(12)10-5-11-9(7)14-4-6-2-3-6/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyNJACSQUJZQZBEW-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.57
Rot. Bonds4

About 4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one

4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 103240772) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one
PubChem CID103240772
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCC2CC2)nc[nH]c1=O
InChIInChI=1S/C9H12N2O3/c1-13-7-8(12)10-5-11-9(7)14-4-6-2-3-6/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyNJACSQUJZQZBEW-UHFFFAOYSA-N
XLogP0.57
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241904
5-methoxy-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241914
5-methoxy-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241926
5-methoxy-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 113792594
5-butoxy-4-hydroxy-1H-pyrimidin-6-one
CID 69937300
4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 102741498
5-methoxy-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
CID 103240453
5-methoxy-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240473
5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103240483
4-hexoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240492
4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one
CID 103240525
4,5-dimethoxy-1H-pyrimidin-6-one
CID 103240566

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one (CID 103240772) is 4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one is COc1c(OCC2CC2)nc[nH]c1=O.
What is the InChIKey of 4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is NJACSQUJZQZBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-13-7-8(12)10-5-11-9(7)14-4-6-2-3-6/h5-6H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one?
4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 196.21 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).