5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine

C9H9BrN4S — CID 80828399

IUPAC5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(NCc2ccsc2)n1
InChIInChI=1S/C9H9BrN4S/c10-7-4-13-9(11)14-8(7)12-3-6-1-2-15-5-6/h1-2,4-5H,3H2,(H3,11,12,13,14)
InChIKeyAOGNFQLUEZYEHB-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.49
Rot. Bonds3

About 5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine

5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80828399) has the molecular formula C9H9BrN4S and a molecular weight of 285.17 g/mol. Its IUPAC name is 5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80828399
Molecular FormulaC9H9BrN4S
Molecular Weight285.17 g/mol
Exact Mass283.97
IUPAC Name5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(NCc2ccsc2)n1
InChIInChI=1S/C9H9BrN4S/c10-7-4-13-9(11)14-8(7)12-3-6-1-2-15-5-6/h1-2,4-5H,3H2,(H3,11,12,13,14)
InChIKeyAOGNFQLUEZYEHB-UHFFFAOYSA-N
XLogP2.49
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 106900943
5-bromo-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 80765163
5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine
CID 80850623
5-bromo-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80787012
4-N-(1,3-benzodioxol-5-ylmethyl)-5-bromopyrimidine-2,4-diamine
CID 80824506
5-bromo-4-N-[(2-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 80844137
6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine
CID 115474154
2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol
CID 80766317
6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine
CID 63248168
6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80913941
5-bromo-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80825700
5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80827758

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine (CID 80828399) is 5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine is Nc1ncc(Br)c(NCc2ccsc2)n1.
What is the InChIKey of 5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is AOGNFQLUEZYEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4S/c10-7-4-13-9(11)14-8(7)12-3-6-1-2-15-5-6/h1-2,4-5H,3H2,(H3,11,12,13,14).
What are the key properties of 5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 285.17 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80828399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).