4-ethyl-2-methyl-1H-pyrimidin-6-one;propane

C10H18N2O — CID 171619241

IUPAC4-ethyl-2-methyl-1H-pyrimidin-6-one;propane
SMILESCCC.CCc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C7H10N2O.C3H8/c1-3-6-4-7(10)9-5(2)8-6;1-3-2/h4H,3H2,1-2H3,(H,8,9,10);3H2,1-2H3
InChIKeyLSLDWBDDPBKYFB-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.06
Rot. Bonds1

About 4-ethyl-2-methyl-1H-pyrimidin-6-one;propane

4-ethyl-2-methyl-1H-pyrimidin-6-one;propane (PubChem CID 171619241) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1H-pyrimidin-6-one;propane.

Molecular Properties

Compound Name4-ethyl-2-methyl-1H-pyrimidin-6-one;propane
PubChem CID171619241
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-ethyl-2-methyl-1H-pyrimidin-6-one;propane
SMILESCCC.CCc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C7H10N2O.C3H8/c1-3-6-4-7(10)9-5(2)8-6;1-3-2/h4H,3H2,1-2H3,(H,8,9,10);3H2,1-2H3
InChIKeyLSLDWBDDPBKYFB-UHFFFAOYSA-N
XLogP2.06
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1H-pyrimidin-6-one;propane?
The IUPAC name of 4-ethyl-2-methyl-1H-pyrimidin-6-one;propane (CID 171619241) is 4-ethyl-2-methyl-1H-pyrimidin-6-one;propane.
What is the SMILES notation for 4-ethyl-2-methyl-1H-pyrimidin-6-one;propane?
The canonical SMILES for 4-ethyl-2-methyl-1H-pyrimidin-6-one;propane is CCC.CCc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-ethyl-2-methyl-1H-pyrimidin-6-one;propane?
The InChIKey is LSLDWBDDPBKYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C3H8/c1-3-6-4-7(10)9-5(2)8-6;1-3-2/h4H,3H2,1-2H3,(H,8,9,10);3H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-1H-pyrimidin-6-one;propane?
4-ethyl-2-methyl-1H-pyrimidin-6-one;propane has a molecular weight of 182.27 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1H-pyrimidin-6-one;propane is sourced from PubChem (CID 171619241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).