2-(N-butoxyanilino)-4-pyridin-4-yl-1H-pyrimidin-6-one

C19H20N4O2 — CID 135753915

IUPAC2-(N-butoxyanilino)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCCCCON(c1ccccc1)c1nc(-c2ccncc2)cc(=O)[nH]1
InChIInChI=1S/C19H20N4O2/c1-2-3-13-25-23(16-7-5-4-6-8-16)19-21-17(14-18(24)22-19)15-9-11-20-12-10-15/h4-12,14H,2-3,13H2,1H3,(H,21,22,24)
InChIKeyUJFXTXITWCSPLS-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.70
Rot. Bonds7

About 2-(N-butoxyanilino)-4-pyridin-4-yl-1H-pyrimidin-6-one

2-(N-butoxyanilino)-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 135753915) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(N-butoxyanilino)-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(N-butoxyanilino)-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID135753915
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-(N-butoxyanilino)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCCCCON(c1ccccc1)c1nc(-c2ccncc2)cc(=O)[nH]1
InChIInChI=1S/C19H20N4O2/c1-2-3-13-25-23(16-7-5-4-6-8-16)19-21-17(14-18(24)22-19)15-9-11-20-12-10-15/h4-12,14H,2-3,13H2,1H3,(H,21,22,24)
InChIKeyUJFXTXITWCSPLS-UHFFFAOYSA-N
XLogP3.70
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(N-butoxyanilino)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(N-butoxyanilino)-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 135753915) is 2-(N-butoxyanilino)-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(N-butoxyanilino)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(N-butoxyanilino)-4-pyridin-4-yl-1H-pyrimidin-6-one is CCCCON(c1ccccc1)c1nc(-c2ccncc2)cc(=O)[nH]1.
What is the InChIKey of 2-(N-butoxyanilino)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is UJFXTXITWCSPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-3-13-25-23(16-7-5-4-6-8-16)19-21-17(14-18(24)22-19)15-9-11-20-12-10-15/h4-12,14H,2-3,13H2,1H3,(H,21,22,24).
What are the key properties of 2-(N-butoxyanilino)-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-(N-butoxyanilino)-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 336.40 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-butoxyanilino)-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135753915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).