4-[2-(4-carbamimidoylphenyl)pyrimidin-4-yl]-3-methoxybenzenecarboximidamide

C19H18N6O — CID 10712591

IUPAC4-[2-(4-carbamimidoylphenyl)pyrimidin-4-yl]-3-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2nccc(-c3ccc(/C(N)=N/[H])cc3OC)n2)cc1
InChIInChI=1S/C19H18N6O/c1-26-16-10-13(18(22)23)6-7-14(16)15-8-9-24-19(25-15)12-4-2-11(3-5-12)17(20)21/h2-10H,1H3,(H3,20,21)(H3,22,23)
InChIKeyNGOWUKNPFCFZGF-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.39
Rot. Bonds5

About 4-[2-(4-carbamimidoylphenyl)pyrimidin-4-yl]-3-methoxybenzenecarboximidamide

4-[2-(4-carbamimidoylphenyl)pyrimidin-4-yl]-3-methoxybenzenecarboximidamide (PubChem CID 10712591) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[2-(4-carbamimidoylphenyl)pyrimidin-4-yl]-3-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(4-carbamimidoylphenyl)pyrimidin-4-yl]-3-methoxybenzenecarboximidamide
PubChem CID10712591
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name4-[2-(4-carbamimidoylphenyl)pyrimidin-4-yl]-3-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2nccc(-c3ccc(/C(N)=N/[H])cc3OC)n2)cc1
InChIInChI=1S/C19H18N6O/c1-26-16-10-13(18(22)23)6-7-14(16)15-8-9-24-19(25-15)12-4-2-11(3-5-12)17(20)21/h2-10H,1H3,(H3,20,21)(H3,22,23)
InChIKeyNGOWUKNPFCFZGF-UHFFFAOYSA-N
XLogP2.39
TPSA134.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[2-(4-carbamimidoylphenyl)pyrimidin-4-yl]-3-methoxybenzenecarboximidamide 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 4-[2-(4-carbamimidoylphenyl)pyrimidin-4-yl]-3-methoxybenzenecarboximidamide?
The IUPAC name of 4-[2-(4-carbamimidoylphenyl)pyrimidin-4-yl]-3-methoxybenzenecarboximidamide (CID 10712591) is 4-[2-(4-carbamimidoylphenyl)pyrimidin-4-yl]-3-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[2-(4-carbamimidoylphenyl)pyrimidin-4-yl]-3-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[2-(4-carbamimidoylphenyl)pyrimidin-4-yl]-3-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2nccc(-c3ccc(/C(N)=N/[H])cc3OC)n2)cc1.
What is the InChIKey of 4-[2-(4-carbamimidoylphenyl)pyrimidin-4-yl]-3-methoxybenzenecarboximidamide?
The InChIKey is NGOWUKNPFCFZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-26-16-10-13(18(22)23)6-7-14(16)15-8-9-24-19(25-15)12-4-2-11(3-5-12)17(20)21/h2-10H,1H3,(H3,20,21)(H3,22,23).
What are the key properties of 4-[2-(4-carbamimidoylphenyl)pyrimidin-4-yl]-3-methoxybenzenecarboximidamide?
4-[2-(4-carbamimidoylphenyl)pyrimidin-4-yl]-3-methoxybenzenecarboximidamide has a molecular weight of 346.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-carbamimidoylphenyl)pyrimidin-4-yl]-3-methoxybenzenecarboximidamide is sourced from PubChem (CID 10712591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).