5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one

C8H11ClN2O2 — CID 114676085

IUPAC5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one
SMILESCC(C)COc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H11ClN2O2/c1-5(2)3-13-8-6(9)7(12)10-4-11-8/h4-5H,3H2,1-2H3,(H,10,11,12)
InChIKeyAIALDRSQZHOGHP-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.46
Rot. Bonds3

About 5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one

5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one (PubChem CID 114676085) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one
PubChem CID114676085
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one
SMILESCC(C)COc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H11ClN2O2/c1-5(2)3-13-8-6(9)7(12)10-4-11-8/h4-5H,3H2,1-2H3,(H,10,11,12)
InChIKeyAIALDRSQZHOGHP-UHFFFAOYSA-N
XLogP1.46
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 114675906
5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 114676544
5-chloro-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 114676550
5-chloro-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 114676562
4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 59665181
5-chloro-4-methoxy-1H-pyrimidin-6-one
CID 46705582
5-chloro-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983136
5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
CID 103179360
5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103284591
5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103489522
5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
CID 106203656
5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one
CID 106203679

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one (CID 114676085) is 5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one is CC(C)COc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one?
The InChIKey is AIALDRSQZHOGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-5(2)3-13-8-6(9)7(12)10-4-11-8/h4-5H,3H2,1-2H3,(H,10,11,12).
What are the key properties of 5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one?
5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one has a molecular weight of 202.64 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114676085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).