2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrimidin-6-one

C10H14N2O3 — CID 135840841

IUPAC2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(C2(C)OCCO2)cc(=O)[nH]1
InChIInChI=1S/C10H14N2O3/c1-3-8-11-7(6-9(13)12-8)10(2)14-4-5-15-10/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyAILKOMLXJPQTQS-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.55
Rot. Bonds2

About 2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrimidin-6-one

2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrimidin-6-one (PubChem CID 135840841) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrimidin-6-one
PubChem CID135840841
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(C2(C)OCCO2)cc(=O)[nH]1
InChIInChI=1S/C10H14N2O3/c1-3-8-11-7(6-9(13)12-8)10(2)14-4-5-15-10/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyAILKOMLXJPQTQS-UHFFFAOYSA-N
XLogP0.55
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrimidin-6-one (CID 135840841) is 2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrimidin-6-one is CCc1nc(C2(C)OCCO2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is AILKOMLXJPQTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-8-11-7(6-9(13)12-8)10(2)14-4-5-15-10/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrimidin-6-one?
2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 210.23 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135840841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).