5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine

C11H14BrN5S — CID 86817548

IUPAC5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(NCc2nc(C)sc2C)ncc1Br
InChIInChI=1S/C11H14BrN5S/c1-6-9(16-7(2)18-6)5-15-11-14-4-8(12)10(13-3)17-11/h4H,5H2,1-3H3,(H2,13,14,15,17)
InChIKeyOXADTFHEUBEWKT-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.97
Rot. Bonds4

About 5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine

5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 86817548) has the molecular formula C11H14BrN5S and a molecular weight of 328.24 g/mol. Its IUPAC name is 5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID86817548
Molecular FormulaC11H14BrN5S
Molecular Weight328.24 g/mol
Exact Mass327.02
IUPAC Name5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(NCc2nc(C)sc2C)ncc1Br
InChIInChI=1S/C11H14BrN5S/c1-6-9(16-7(2)18-6)5-15-11-14-4-8(12)10(13-3)17-11/h4H,5H2,1-3H3,(H2,13,14,15,17)
InChIKeyOXADTFHEUBEWKT-UHFFFAOYSA-N
XLogP2.97
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine with MolForge

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Related Compounds

5-bromo-4-N-(5-methyl-1,3-thiazol-2-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 49830727
N-[2-(4,5-Dimethyl-1,3-thiazol-2-YL)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72936462
5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 164637491
2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 130419730
4-Methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-2-carbonitrile
CID 156449161
2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79075801
2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 79075900
2-chloro-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 79076508
2-chloro-5-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 79081656
2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 79081748
5-fluoro-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807546
5-fluoro-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80807557

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine (CID 86817548) is 5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine is CNc1nc(NCc2nc(C)sc2C)ncc1Br.
What is the InChIKey of 5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is OXADTFHEUBEWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5S/c1-6-9(16-7(2)18-6)5-15-11-14-4-8(12)10(13-3)17-11/h4H,5H2,1-3H3,(H2,13,14,15,17).
What are the key properties of 5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 328.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 86817548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).