2-butoxypyrido[1,2-a]pyrimidin-4-one

C12H14N2O2 — CID 2785431

IUPAC2-butoxypyrido[1,2-a]pyrimidin-4-one
SMILESCCCCOc1cc(=O)n2ccccc2n1
InChIInChI=1S/C12H14N2O2/c1-2-3-8-16-11-9-12(15)14-7-5-4-6-10(14)13-11/h4-7,9H,2-3,8H2,1H3
InChIKeyKZSKGEJLKNZXTH-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.87
Rot. Bonds4

About 2-butoxypyrido[1,2-a]pyrimidin-4-one

2-butoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 2785431) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-butoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-butoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID2785431
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-butoxypyrido[1,2-a]pyrimidin-4-one
SMILESCCCCOc1cc(=O)n2ccccc2n1
InChIInChI=1S/C12H14N2O2/c1-2-3-8-16-11-9-12(15)14-7-5-4-6-10(14)13-11/h4-7,9H,2-3,8H2,1H3
InChIKeyKZSKGEJLKNZXTH-UHFFFAOYSA-N
XLogP1.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135413477
2-methoxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 638805
2-Methoxy-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266901
2-Methoxy-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 5325883
7-Bromo-2-ethoxy-9-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 138958348
2-Ethoxy-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 153056766
7-Bromo-9-fluoro-2-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one
CID 154932757
2-(Diethylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 340742
3-Fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one
CID 14028557
7-Bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one
CID 166370966
6-Methoxy-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 155816568
1,3-Dimethyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate
CID 10774027

Frequently Asked Questions

What is the IUPAC name of 2-butoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-butoxypyrido[1,2-a]pyrimidin-4-one (CID 2785431) is 2-butoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-butoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-butoxypyrido[1,2-a]pyrimidin-4-one is CCCCOc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-butoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KZSKGEJLKNZXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-3-8-16-11-9-12(15)14-7-5-4-6-10(14)13-11/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 2-butoxypyrido[1,2-a]pyrimidin-4-one?
2-butoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 218.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2785431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).