5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine

C9H10BrN5S — CID 80827758

IUPAC5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(NCCc2nccs2)n1
InChIInChI=1S/C9H10BrN5S/c10-6-5-14-9(11)15-8(6)13-2-1-7-12-3-4-16-7/h3-5H,1-2H2,(H3,11,13,14,15)
InChIKeyIHJBOEMDFKXZIN-UHFFFAOYSA-N
MW300.19 g/mol
LogP1.93
Rot. Bonds4

About 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine

5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80827758) has the molecular formula C9H10BrN5S and a molecular weight of 300.19 g/mol. Its IUPAC name is 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID80827758
Molecular FormulaC9H10BrN5S
Molecular Weight300.19 g/mol
Exact Mass298.98
IUPAC Name5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(NCCc2nccs2)n1
InChIInChI=1S/C9H10BrN5S/c10-6-5-14-9(11)15-8(6)13-2-1-7-12-3-4-16-7/h3-5H,1-2H2,(H3,11,13,14,15)
InChIKeyIHJBOEMDFKXZIN-UHFFFAOYSA-N
XLogP1.93
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]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-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828101
2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol
CID 80766317
5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80791970
5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518122
6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80914412
5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278017
3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine
CID 102984316
5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115774025
3-[(2-amino-5-bromopyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80819569
2-ethyl-6-hydrazinyl-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 81007235
5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828978
5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80828399

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (CID 80827758) is 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is Nc1ncc(Br)c(NCCc2nccs2)n1.
What is the InChIKey of 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is IHJBOEMDFKXZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5S/c10-6-5-14-9(11)15-8(6)13-2-1-7-12-3-4-16-7/h3-5H,1-2H2,(H3,11,13,14,15).
What are the key properties of 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 300.19 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80827758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).