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

C11H14FN5S — CID 72940191

IUPAC5-fluoro-4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCC(Nc1ncc(F)c(N(C)C)n1)c1nccs1
InChIInChI=1S/C11H14FN5S/c1-7(10-13-4-5-18-10)15-11-14-6-8(12)9(16-11)17(2)3/h4-7H,1-3H3,(H,14,15,16)
InChIKeyYURHMRNXTDTABS-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.31
Rot. Bonds4

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

5-fluoro-4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 72940191) has the molecular formula C11H14FN5S and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-fluoro-4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID72940191
Molecular FormulaC11H14FN5S
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC Name5-fluoro-4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCC(Nc1ncc(F)c(N(C)C)n1)c1nccs1
InChIInChI=1S/C11H14FN5S/c1-7(10-13-4-5-18-10)15-11-14-6-8(12)9(16-11)17(2)3/h4-7H,1-3H3,(H,14,15,16)
InChIKeyYURHMRNXTDTABS-UHFFFAOYSA-N
XLogP2.31
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine with MolForge

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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
2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 71850493
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
4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 75421998
2-N,2-N,4-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 75422024
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (CID 72940191) is 5-fluoro-4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is CC(Nc1ncc(F)c(N(C)C)n1)c1nccs1.
What is the InChIKey of 5-fluoro-4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is YURHMRNXTDTABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5S/c1-7(10-13-4-5-18-10)15-11-14-6-8(12)9(16-11)17(2)3/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 5-fluoro-4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
5-fluoro-4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 267.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72940191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).