4-ethyl-5-propyl-2-(trifluoromethyl)-1H-pyrimidin-6-one

C10H13F3N2O — CID 135588820

IUPAC4-ethyl-5-propyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCc1c(CC)nc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H13F3N2O/c1-3-5-6-7(4-2)14-9(10(11,12)13)15-8(6)16/h3-5H2,1-2H3,(H,14,15,16)
InChIKeyGRVYRZAWSKFTCB-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.30
Rot. Bonds3

About 4-ethyl-5-propyl-2-(trifluoromethyl)-1H-pyrimidin-6-one

4-ethyl-5-propyl-2-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135588820) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-ethyl-5-propyl-2-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-5-propyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135588820
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name4-ethyl-5-propyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCc1c(CC)nc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H13F3N2O/c1-3-5-6-7(4-2)14-9(10(11,12)13)15-8(6)16/h3-5H2,1-2H3,(H,14,15,16)
InChIKeyGRVYRZAWSKFTCB-UHFFFAOYSA-N
XLogP2.30
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-propyl-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-5-propyl-2-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135588820) is 4-ethyl-5-propyl-2-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-5-propyl-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-5-propyl-2-(trifluoromethyl)-1H-pyrimidin-6-one is CCCc1c(CC)nc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 4-ethyl-5-propyl-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is GRVYRZAWSKFTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-3-5-6-7(4-2)14-9(10(11,12)13)15-8(6)16/h3-5H2,1-2H3,(H,14,15,16).
What are the key properties of 4-ethyl-5-propyl-2-(trifluoromethyl)-1H-pyrimidin-6-one?
4-ethyl-5-propyl-2-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 234.22 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-propyl-2-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135588820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).