N-benzyl-2-(furan-3-yl)pyrimidin-4-amine

C15H13N3O — CID 3233094

IUPACN-benzyl-2-(furan-3-yl)pyrimidin-4-amine
SMILESc1ccc(CNc2ccnc(-c3ccoc3)n2)cc1
InChIInChI=1S/C15H13N3O/c1-2-4-12(5-3-1)10-17-14-6-8-16-15(18-14)13-7-9-19-11-13/h1-9,11H,10H2,(H,16,17,18)
InChIKeyWCGBHHFMIXRPIO-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.35
Rot. Bonds4

About N-benzyl-2-(furan-3-yl)pyrimidin-4-amine

N-benzyl-2-(furan-3-yl)pyrimidin-4-amine (PubChem CID 3233094) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-benzyl-2-(furan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(furan-3-yl)pyrimidin-4-amine
PubChem CID3233094
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-benzyl-2-(furan-3-yl)pyrimidin-4-amine
SMILESc1ccc(CNc2ccnc(-c3ccoc3)n2)cc1
InChIInChI=1S/C15H13N3O/c1-2-4-12(5-3-1)10-17-14-6-8-16-15(18-14)13-7-9-19-11-13/h1-9,11H,10H2,(H,16,17,18)
InChIKeyWCGBHHFMIXRPIO-UHFFFAOYSA-N
XLogP3.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-(furan-3-yl)pyrimidin-4-amine 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

N-[5-(furan-3-yl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 129240123
5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3232775
2-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3232916
N-benzyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3232979
5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3233460
N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine
CID 3233619
N-cyclopropyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3233771
N-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine
CID 3234160
2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 3234233
2-(furan-3-yl)-N-(2-methoxyethyl)quinazolin-4-amine
CID 3234842
2-(furan-3-yl)-N-methylquinazolin-4-amine
CID 3234844
N-cyclopropyl-2-(furan-3-yl)quinazolin-4-amine
CID 3235164

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(furan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(furan-3-yl)pyrimidin-4-amine (CID 3233094) is N-benzyl-2-(furan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(furan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(furan-3-yl)pyrimidin-4-amine is c1ccc(CNc2ccnc(-c3ccoc3)n2)cc1.
What is the InChIKey of N-benzyl-2-(furan-3-yl)pyrimidin-4-amine?
The InChIKey is WCGBHHFMIXRPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-4-12(5-3-1)10-17-14-6-8-16-15(18-14)13-7-9-19-11-13/h1-9,11H,10H2,(H,16,17,18).
What are the key properties of N-benzyl-2-(furan-3-yl)pyrimidin-4-amine?
N-benzyl-2-(furan-3-yl)pyrimidin-4-amine has a molecular weight of 251.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(furan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 3233094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).