2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one

C22H20N4O — CID 135443433

IUPAC2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(NCCCc2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C22H20N4O/c27-21-15-20(18-9-12-23-13-10-18)25-22(26-21)24-11-3-4-16-7-8-17-5-1-2-6-19(17)14-16/h1-2,5-10,12-15H,3-4,11H2,(H2,24,25,26,27)
InChIKeyYLIHZGJRXXYQRE-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.03
Rot. Bonds6

About 2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one

2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 135443433) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID135443433
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(NCCCc2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C22H20N4O/c27-21-15-20(18-9-12-23-13-10-18)25-22(26-21)24-11-3-4-16-7-8-17-5-1-2-6-19(17)14-16/h1-2,5-10,12-15H,3-4,11H2,(H2,24,25,26,27)
InChIKeyYLIHZGJRXXYQRE-UHFFFAOYSA-N
XLogP4.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135433523
2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135406996
2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136741034
4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 135484464
2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one
CID 136925145
2-[(3,4-dimethoxyphenyl)methylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135484550
tert-butyl N-[[3-[[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]methyl]phenyl]methyl]carbamate
CID 135542913
4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one
CID 142400663
2-[3-phenylpropyl(trifluoromethyl)amino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135453322
2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one
CID 135421720
2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753960
N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide
CID 135436593

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 135443433) is 2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one is O=c1cc(-c2ccncc2)nc(NCCCc2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is YLIHZGJRXXYQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-21-15-20(18-9-12-23-13-10-18)25-22(26-21)24-11-3-4-16-7-8-17-5-1-2-6-19(17)14-16/h1-2,5-10,12-15H,3-4,11H2,(H2,24,25,26,27).
What are the key properties of 2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 356.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135443433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).