5-butyl-2-ethyl-1H-pyrimidin-6-one

C10H16N2O — CID 172709833

IUPAC5-butyl-2-ethyl-1H-pyrimidin-6-one
SMILESCCCCc1cnc(CC)[nH]c1=O
InChIInChI=1S/C10H16N2O/c1-3-5-6-8-7-11-9(4-2)12-10(8)13/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyFCDJZNFISGXNOO-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.67
Rot. Bonds4

About 5-butyl-2-ethyl-1H-pyrimidin-6-one

5-butyl-2-ethyl-1H-pyrimidin-6-one (PubChem CID 172709833) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-butyl-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-2-ethyl-1H-pyrimidin-6-one
PubChem CID172709833
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-butyl-2-ethyl-1H-pyrimidin-6-one
SMILESCCCCc1cnc(CC)[nH]c1=O
InChIInChI=1S/C10H16N2O/c1-3-5-6-8-7-11-9(4-2)12-10(8)13/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyFCDJZNFISGXNOO-UHFFFAOYSA-N
XLogP1.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Pyrimidinol, 6-amino-5-butyl-2-methyl-
CID 135854955
4-Pyrimidinol, 6-amino-2-methyl-5-octyl-
CID 135854959
4-Pyrimidinol, 6-amino-2-methyl-5-pentyl-
CID 135854960
4-Pyrimidinol, 6-amino-2-methyl-5-propyl-
CID 135854961
Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
5-Methyl-2-propylpyrimidin-4(3H)-one
CID 15335387
2-cyclopropyl-5-propyl-1H-pyrimidin-6-one
CID 23465438
2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one
CID 23465452
2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 24903697
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 24903855

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-2-ethyl-1H-pyrimidin-6-one (CID 172709833) is 5-butyl-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-2-ethyl-1H-pyrimidin-6-one is CCCCc1cnc(CC)[nH]c1=O.
What is the InChIKey of 5-butyl-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is FCDJZNFISGXNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-5-6-8-7-11-9(4-2)12-10(8)13/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 5-butyl-2-ethyl-1H-pyrimidin-6-one?
5-butyl-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 180.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 172709833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).