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

C11H18N2O3 — CID 103491882

IUPAC4-(1-ethoxypropan-2-yloxy)-2-ethyl-1H-pyrimidin-6-one
SMILESCCOCC(C)Oc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C11H18N2O3/c1-4-9-12-10(14)6-11(13-9)16-8(3)7-15-5-2/h6,8H,4-5,7H2,1-3H3,(H,12,13,14)
InChIKeyVLBOJWQSTWPXJG-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.14
Rot. Bonds6

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

4-(1-ethoxypropan-2-yloxy)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 103491882) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-yloxy)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-yloxy)-2-ethyl-1H-pyrimidin-6-one
PubChem CID103491882
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-(1-ethoxypropan-2-yloxy)-2-ethyl-1H-pyrimidin-6-one
SMILESCCOCC(C)Oc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C11H18N2O3/c1-4-9-12-10(14)6-11(13-9)16-8(3)7-15-5-2/h6,8H,4-5,7H2,1-3H3,(H,12,13,14)
InChIKeyVLBOJWQSTWPXJG-UHFFFAOYSA-N
XLogP1.14
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240550
4-(2,2-difluoroethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103241906
2-ethyl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241929
2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one
CID 14279697
4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one
CID 23525166
2-acetyl-4-ethoxy-1H-pyrimidin-6-one
CID 89661005
2-ethyl-4-methoxy-1H-pyrimidin-6-one
CID 103846153
4-Amino-2-(2-ethoxyethyl)pyrimid-6-one
CID 136354624
4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one
CID 164856640
4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one
CID 166803033

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-yloxy)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-ethoxypropan-2-yloxy)-2-ethyl-1H-pyrimidin-6-one (CID 103491882) is 4-(1-ethoxypropan-2-yloxy)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-ethoxypropan-2-yloxy)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-ethoxypropan-2-yloxy)-2-ethyl-1H-pyrimidin-6-one is CCOCC(C)Oc1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 4-(1-ethoxypropan-2-yloxy)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is VLBOJWQSTWPXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-9-12-10(14)6-11(13-9)16-8(3)7-15-5-2/h6,8H,4-5,7H2,1-3H3,(H,12,13,14).
What are the key properties of 4-(1-ethoxypropan-2-yloxy)-2-ethyl-1H-pyrimidin-6-one?
4-(1-ethoxypropan-2-yloxy)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-yloxy)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103491882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).