5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one

C14H17N3O2 — CID 136769899

IUPAC5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one
SMILESCCCOc1cncc(-c2nc[nH]c(=O)c2CC)c1
InChIInChI=1S/C14H17N3O2/c1-3-5-19-11-6-10(7-15-8-11)13-12(4-2)14(18)17-9-16-13/h6-9H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyMBRIPFPRULEADQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.18
Rot. Bonds5

About 5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one

5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 136769899) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one
PubChem CID136769899
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one
SMILESCCCOc1cncc(-c2nc[nH]c(=O)c2CC)c1
InChIInChI=1S/C14H17N3O2/c1-3-5-19-11-6-10(7-15-8-11)13-12(4-2)14(18)17-9-16-13/h6-9H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyMBRIPFPRULEADQ-UHFFFAOYSA-N
XLogP2.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one
CID 136955627
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1H-pyrimidin-6-one
CID 136692126
5-methoxy-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520720
4-(4-tert-butylphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136692482
5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136769913
4-(4-chloro-3-methoxyphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136769434
2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid
CID 167839939
4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692261
4-(5-propoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106520742
6-(5-propoxy-3-pyridinyl)pyridin-3-ol
CID 83129184
5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione
CID 106520729
4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid
CID 167815932

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one (CID 136769899) is 5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one is CCCOc1cncc(-c2nc[nH]c(=O)c2CC)c1.
What is the InChIKey of 5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is MBRIPFPRULEADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-5-19-11-6-10(7-15-8-11)13-12(4-2)14(18)17-9-16-13/h6-9H,3-5H2,1-2H3,(H,16,17,18).
What are the key properties of 5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one?
5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136769899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).