6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine

C15H14N4O — CID 112858614

IUPAC6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
SMILESc1ccc(Nc2cc(NCc3ccco3)ncn2)cc1
InChIInChI=1S/C15H14N4O/c1-2-5-12(6-3-1)19-15-9-14(17-11-18-15)16-10-13-7-4-8-20-13/h1-9,11H,10H2,(H2,16,17,18,19)
InChIKeyQBGJREMOEQTZPT-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.43
Rot. Bonds5

About 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine

6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112858614) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112858614
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
SMILESc1ccc(Nc2cc(NCc3ccco3)ncn2)cc1
InChIInChI=1S/C15H14N4O/c1-2-5-12(6-3-1)19-15-9-14(17-11-18-15)16-10-13-7-4-8-20-13/h1-9,11H,10H2,(H2,16,17,18,19)
InChIKeyQBGJREMOEQTZPT-UHFFFAOYSA-N
XLogP3.43
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine 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

4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858686
6-N-(furan-2-ylmethyl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112858616
6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112858660
4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858600
6-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109346189
4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858634
4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858656
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 19146076
4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 167864610
6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112858694
4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858549
6-N-[2-(2-fluorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858566

Frequently Asked Questions

What is the IUPAC name of 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine (CID 112858614) is 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine is c1ccc(Nc2cc(NCc3ccco3)ncn2)cc1.
What is the InChIKey of 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is QBGJREMOEQTZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-5-12(6-3-1)19-15-9-14(17-11-18-15)16-10-13-7-4-8-20-13/h1-9,11H,10H2,(H2,16,17,18,19).
What are the key properties of 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine?
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 266.30 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112858614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).