5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile

C18H14N4O2 — CID 164614471

IUPAC5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile
SMILESN#Cc1cc(-c2nc(N)cc(=O)[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C18H14N4O2/c19-10-14-8-13(18-21-16(20)9-17(23)22-18)6-7-15(14)24-11-12-4-2-1-3-5-12/h1-9H,11H2,(H3,20,21,22,23)
InChIKeyZWITVQPZZHUROM-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.47
Rot. Bonds4

About 5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile

5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile (PubChem CID 164614471) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile.

Molecular Properties

Compound Name5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile
PubChem CID164614471
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile
SMILESN#Cc1cc(-c2nc(N)cc(=O)[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C18H14N4O2/c19-10-14-8-13(18-21-16(20)9-17(23)22-18)6-7-15(14)24-11-12-4-2-1-3-5-12/h1-9H,11H2,(H3,20,21,22,23)
InChIKeyZWITVQPZZHUROM-UHFFFAOYSA-N
XLogP2.47
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile?
The IUPAC name of 5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile (CID 164614471) is 5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile.
What is the SMILES notation for 5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile?
The canonical SMILES for 5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile is N#Cc1cc(-c2nc(N)cc(=O)[nH]2)ccc1OCc1ccccc1.
What is the InChIKey of 5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile?
The InChIKey is ZWITVQPZZHUROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c19-10-14-8-13(18-21-16(20)9-17(23)22-18)6-7-15(14)24-11-12-4-2-1-3-5-12/h1-9H,11H2,(H3,20,21,22,23).
What are the key properties of 5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile?
5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile has a molecular weight of 318.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-6-oxo-1H-pyrimidin-2-yl)-2-phenylmethoxybenzonitrile is sourced from PubChem (CID 164614471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).