5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one

C16H19N3O — CID 135418974

IUPAC5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESC=CC(C)c1c(CCC)nc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C16H19N3O/c1-4-8-12-14(11(3)5-2)16(20)19-15(18-12)13-9-6-7-10-17-13/h5-7,9-11H,2,4,8H2,1,3H3,(H,18,19,20)
InChIKeyHBVRLPIDRMMZGW-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.07
Rot. Bonds5

About 5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one

5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 135418974) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID135418974
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESC=CC(C)c1c(CCC)nc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C16H19N3O/c1-4-8-12-14(11(3)5-2)16(20)19-15(18-12)13-9-6-7-10-17-13/h5-7,9-11H,2,4,8H2,1,3H3,(H,18,19,20)
InChIKeyHBVRLPIDRMMZGW-UHFFFAOYSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-2-(pyridin-2-yl)pyrimidin-4-ol
CID 135472985
2-Pyridin-2-Yl-7,8-Dihydro-5h-Thiopyrano[4,3-D]pyrimidin-4-Ol
CID 135418937
4-Hydroxy-6-phenyl-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 135463837
6-Methyl-2-(3-pyridinyl)-4-pyrimidinol
CID 135439676
Cyto8C5
CID 135435523
2-(Pyridin-3-yl)-6-(trifluoromethyl)pyrimidin-4-ol
CID 135410009
5-Bromo-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinol
CID 135472875
2-Amino-6-pyridin-3-yl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136055841
6-Methyl-3-(2-pyridinyl)-1,2,4-triazin-5(2H)-one
CID 135441872
4-ethyl-5-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135400715
5-Methoxy-2-(pyridin-2-yl)pyrimidin-4-ol
CID 2763499
3-Methyl-2-(3-phenylpropyl)-6-(4-pyridinyl)-4(3H)-pyrimidinone
CID 9817982

Frequently Asked Questions

What is the IUPAC name of 5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 135418974) is 5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one is C=CC(C)c1c(CCC)nc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of 5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is HBVRLPIDRMMZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-4-8-12-14(11(3)5-2)16(20)19-15(18-12)13-9-6-7-10-17-13/h5-7,9-11H,2,4,8H2,1,3H3,(H,18,19,20).
What are the key properties of 5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 269.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135418974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).