5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine

C8H7BrN4S — CID 80850623

IUPAC5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(Nc2ccsc2)n1
InChIInChI=1S/C8H7BrN4S/c9-6-3-11-8(10)13-7(6)12-5-1-2-14-4-5/h1-4H,(H3,10,11,12,13)
InChIKeyIEEHRUDNECUPHD-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.63
Rot. Bonds2

About 5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine

5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine (PubChem CID 80850623) has the molecular formula C8H7BrN4S and a molecular weight of 271.14 g/mol. Its IUPAC name is 5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine
PubChem CID80850623
Molecular FormulaC8H7BrN4S
Molecular Weight271.14 g/mol
Exact Mass269.96
IUPAC Name5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(Nc2ccsc2)n1
InChIInChI=1S/C8H7BrN4S/c9-6-3-11-8(10)13-7(6)12-5-1-2-14-4-5/h1-4H,(H3,10,11,12,13)
InChIKeyIEEHRUDNECUPHD-UHFFFAOYSA-N
XLogP2.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80828399
5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80762038
2-[4-[(2-amino-5-bromopyrimidin-4-yl)amino]phenyl]acetonitrile
CID 80821946
3-bromo-N-thiophen-3-ylpyridin-2-amine
CID 66353988
3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine
CID 114837216
5-[(2-amino-5-bromopyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 80749350
5-bromo-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80797339
2-N-thiophen-3-ylpyridine-2,3-diamine
CID 66349916
5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine
CID 107639334
5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine
CID 114261712
5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807481
5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 80850079

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine (CID 80850623) is 5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine is Nc1ncc(Br)c(Nc2ccsc2)n1.
What is the InChIKey of 5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The InChIKey is IEEHRUDNECUPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4S/c9-6-3-11-8(10)13-7(6)12-5-1-2-14-4-5/h1-4H,(H3,10,11,12,13).
What are the key properties of 5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine has a molecular weight of 271.14 g/mol, XLogP of 2.63, 2 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-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80850623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).