2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide

C18H18N6 — CID 162531322

IUPAC2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(-c2cnc(NCc3ccccc3)nc2)ccc1N
InChIInChI=1S/C18H18N6/c19-16-7-6-13(8-15(16)17(20)21)14-10-23-18(24-11-14)22-9-12-4-2-1-3-5-12/h1-8,10-11H,9,19H2,(H3,20,21)(H,22,23,24)
InChIKeyVIUFWQYPRFAJJY-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.62
Rot. Bonds5

About 2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide

2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide (PubChem CID 162531322) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide.

Molecular Properties

Compound Name2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide
PubChem CID162531322
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(-c2cnc(NCc3ccccc3)nc2)ccc1N
InChIInChI=1S/C18H18N6/c19-16-7-6-13(8-15(16)17(20)21)14-10-23-18(24-11-14)22-9-12-4-2-1-3-5-12/h1-8,10-11H,9,19H2,(H3,20,21)(H,22,23,24)
InChIKeyVIUFWQYPRFAJJY-UHFFFAOYSA-N
XLogP2.62
TPSA113.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide
CID 166907910
2-(benzylamino)benzenecarboximidamide
CID 82253277
2-ethoxy-5-phenylbenzenecarboximidamide
CID 83969112
N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide
CID 53108687
5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 3706833
4-N-benzyl-2-(1H-pyrrole-2-carboximidoyl)benzene-1,4-diamine
CID 142077126
4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 142223741
4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide
CID 53108676
N-benzyl-5-phenylpyridin-2-amine
CID 24949412
2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride
CID 82253292
4-amino-3-carbamimidoylbenzoic acid
CID 155053742
4-[(2-carbamimidoylanilino)methyl]benzoic acid
CID 82253624

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide?
The IUPAC name of 2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide (CID 162531322) is 2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide.
What is the SMILES notation for 2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide?
The canonical SMILES for 2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide is [H]/N=C(\N)c1cc(-c2cnc(NCc3ccccc3)nc2)ccc1N.
What is the InChIKey of 2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide?
The InChIKey is VIUFWQYPRFAJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c19-16-7-6-13(8-15(16)17(20)21)14-10-23-18(24-11-14)22-9-12-4-2-1-3-5-12/h1-8,10-11H,9,19H2,(H3,20,21)(H,22,23,24).
What are the key properties of 2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide?
2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide has a molecular weight of 318.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide is sourced from PubChem (CID 162531322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).