4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-diamine

C15H13BrN4O — CID 150817092

IUPAC4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-diamine
SMILESNc1nc(NCc2ccc(Br)cc2)cc(-c2ccco2)n1
InChIInChI=1S/C15H13BrN4O/c16-11-5-3-10(4-6-11)9-18-14-8-12(19-15(17)20-14)13-2-1-7-21-13/h1-8H,9H2,(H3,17,18,19,20)
InChIKeyKJCUBQSROKQTOA-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.69
Rot. Bonds4

About 4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-diamine

4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-diamine (PubChem CID 150817092) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-diamine
PubChem CID150817092
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-diamine
SMILESNc1nc(NCc2ccc(Br)cc2)cc(-c2ccco2)n1
InChIInChI=1S/C15H13BrN4O/c16-11-5-3-10(4-6-11)9-18-14-8-12(19-15(17)20-14)13-2-1-7-21-13/h1-8H,9H2,(H3,17,18,19,20)
InChIKeyKJCUBQSROKQTOA-UHFFFAOYSA-N
XLogP3.69
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-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

6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine
CID 79823347
4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
CID 75360077
4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine
CID 18507652
N-benzyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 157038667
6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80755274
4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78983069
N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine
CID 83312160
[5-[(4-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(3-methylphenyl)methanone
CID 23612849
2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine
CID 80952417
4-N-benzyl-6-thiophen-2-ylpyrimidine-2,4-diamine
CID 117079807
5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine
CID 23020456
2-amino-6-(furan-2-yl)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 11737091

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-diamine (CID 150817092) is 4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-diamine is Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccco2)n1.
What is the InChIKey of 4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is KJCUBQSROKQTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c16-11-5-3-10(4-6-11)9-18-14-8-12(19-15(17)20-14)13-2-1-7-21-13/h1-8H,9H2,(H3,17,18,19,20).
What are the key properties of 4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-diamine?
4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 345.20 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 150817092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).