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

C9H13ClN2O3 — CID 103489522

IUPAC5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one
SMILESCCOCC(C)Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H13ClN2O3/c1-3-14-4-6(2)15-9-7(10)8(13)11-5-12-9/h5-6H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyQOJNAXSNEBOXMU-UHFFFAOYSA-N
MW232.67 g/mol
LogP1.23
Rot. Bonds5

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

5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one (PubChem CID 103489522) has the molecular formula C9H13ClN2O3 and a molecular weight of 232.67 g/mol. Its IUPAC name is 5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one
PubChem CID103489522
Molecular FormulaC9H13ClN2O3
Molecular Weight232.67 g/mol
Exact Mass232.06
IUPAC Name5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one
SMILESCCOCC(C)Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H13ClN2O3/c1-3-14-4-6(2)15-9-7(10)8(13)11-5-12-9/h5-6H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyQOJNAXSNEBOXMU-UHFFFAOYSA-N
XLogP1.23
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrimidin-6-one
CID 114676490
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
4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
CID 103240710
4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one
CID 103489529
4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103491880
5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
CID 106448541
5-chloro-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
CID 106666423
4-but-3-yn-2-yloxy-5-chloro-1H-pyrimidin-6-one
CID 106795085
5-chloro-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
CID 113812206
5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586306
5-chloro-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
CID 114675862

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one (CID 103489522) is 5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one is CCOCC(C)Oc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one?
The InChIKey is QOJNAXSNEBOXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3/c1-3-14-4-6(2)15-9-7(10)8(13)11-5-12-9/h5-6H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one?
5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one has a molecular weight of 232.67 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103489522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).