N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide

C17H16N4O2 — CID 109303247

IUPACN-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C17H16N4O2/c22-16(19-11-13-5-2-1-3-6-13)15-8-9-18-17(21-15)20-12-14-7-4-10-23-14/h1-10H,11-12H2,(H,19,22)(H,18,20,21)
InChIKeyAHBVRHQOOTWLSZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.61
Rot. Bonds6

About N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide

N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109303247) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109303247
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C17H16N4O2/c22-16(19-11-13-5-2-1-3-6-13)15-8-9-18-17(21-15)20-12-14-7-4-10-23-14/h1-10H,11-12H2,(H,19,22)(H,18,20,21)
InChIKeyAHBVRHQOOTWLSZ-UHFFFAOYSA-N
XLogP2.61
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109303262
2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109303249
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303420
2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303311
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470
N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109301857
2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303449
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301688
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
N-cyclopropyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109295735
2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109303381
2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109303361

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109303247) is N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide is O=C(NCc1ccccc1)c1ccnc(NCc2ccco2)n1.
What is the InChIKey of N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is AHBVRHQOOTWLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-16(19-11-13-5-2-1-3-6-13)15-8-9-18-17(21-15)20-12-14-7-4-10-23-14/h1-10H,11-12H2,(H,19,22)(H,18,20,21).
What are the key properties of N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).