5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine

C11H14FN5S — CID 80843646

IUPAC5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine
SMILESCCC(Nc1nc(NC)ncc1F)c1nccs1
InChIInChI=1S/C11H14FN5S/c1-3-8(10-14-4-5-18-10)16-9-7(12)6-15-11(13-2)17-9/h4-6,8H,3H2,1-2H3,(H2,13,15,16,17)
InChIKeyUDMPAVLFLLOXLJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.68
Rot. Bonds5

About 5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine

5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine (PubChem CID 80843646) has the molecular formula C11H14FN5S and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine
PubChem CID80843646
Molecular FormulaC11H14FN5S
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC Name5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine
SMILESCCC(Nc1nc(NC)ncc1F)c1nccs1
InChIInChI=1S/C11H14FN5S/c1-3-8(10-14-4-5-18-10)16-9-7(12)6-15-11(13-2)17-9/h4-6,8H,3H2,1-2H3,(H2,13,15,16,17)
InChIKeyUDMPAVLFLLOXLJ-UHFFFAOYSA-N
XLogP2.68
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]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

(S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N6-(5-methylthiazol-2-yl)pyrazine-2,6-diamine
CID 25171662
5-chloro-2-N-(3-methylbutan-2-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-2,4-diamine
CID 49830728
1,2-Ethanediamine, N,N-dimethyl-N'-(4-(2-thiazolyl)-2-pyrimidinyl)-
CID 452515
N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 71933043
5-Fluoro-N,N-dimethyl-2-{4-[(2-methyl-1,3-thiazol-4-YL)methyl]piperazin-1-YL}pyrimidin-4-amine
CID 72900718
2-(1,3-Thiazol-5-yl)pyrimidin-4-amine
CID 80477993
N-[2-(4,5-Dimethyl-1,3-thiazol-2-YL)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72936462
5-chloro-4-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 100649053
5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 164637491
5-Fluoro-4-hydrazino-2-methyl-6-[(1,3-thiazol-2-ylmethyl)amino]pyrimidine
CID 66935899
2-chloro-5-fluoro-6-[(1,3-thiazol-2-ylmethyl)amino]-4(1H)-pyrimidinone hydrazone
CID 66936123
5-fluoro-6-hydrazino-N-methyl-2-(methylthio)-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 66936247

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine (CID 80843646) is 5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine is CCC(Nc1nc(NC)ncc1F)c1nccs1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine?
The InChIKey is UDMPAVLFLLOXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5S/c1-3-8(10-14-4-5-18-10)16-9-7(12)6-15-11(13-2)17-9/h4-6,8H,3H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine has a molecular weight of 267.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80843646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).