5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine

C11H13BrN4O — CID 80766356

IUPAC5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NCc2ccco2)n1
InChIInChI=1S/C11H13BrN4O/c1-2-13-11-15-7-9(12)10(16-11)14-6-8-4-3-5-17-8/h3-5,7H,2,6H2,1H3,(H2,13,14,15,16)
InChIKeyZTOAYOTXCRRCLU-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.88
Rot. Bonds5

About 5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine

5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80766356) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80766356
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NCc2ccco2)n1
InChIInChI=1S/C11H13BrN4O/c1-2-13-11-15-7-9(12)10(16-11)14-6-8-4-3-5-17-8/h3-5,7H,2,6H2,1H3,(H2,13,14,15,16)
InChIKeyZTOAYOTXCRRCLU-UHFFFAOYSA-N
XLogP2.88
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)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

5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 106901022
5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 68886918
5-bromo-2-N-ethyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80813021
5-bromo-2-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80807441
5-bromo-4-N-[(4-bromothiophen-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80836657
5-bromo-2-N-ethyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80769855
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80776985
2-N,2-N,6-N-triethyl-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80750440
5-bromo-2-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80829597
5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine
CID 80805349
5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 80754775

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine (CID 80766356) is 5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine is CCNc1ncc(Br)c(NCc2ccco2)n1.
What is the InChIKey of 5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is ZTOAYOTXCRRCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-2-13-11-15-7-9(12)10(16-11)14-6-8-4-3-5-17-8/h3-5,7H,2,6H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 297.16 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80766356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).