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

C9H10FN5S — CID 80828101

IUPAC5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCCc2nccs2)n1
InChIInChI=1S/C9H10FN5S/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)
InChIKeyHMJSGQKBPFCSTB-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.31
Rot. Bonds4

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

5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80828101) has the molecular formula C9H10FN5S and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID80828101
Molecular FormulaC9H10FN5S
Molecular Weight239.28 g/mol
Exact Mass239.06
IUPAC Name5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCCc2nccs2)n1
InChIInChI=1S/C9H10FN5S/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)
InChIKeyHMJSGQKBPFCSTB-UHFFFAOYSA-N
XLogP1.31
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80827758
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80785277
4-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]phenol
CID 80798211
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 80787091
5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278017
3,4-difluoro-2-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 63242145
3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 63242054
3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine
CID 102984316
5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80808338
4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine
CID 115409525
6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80914412
4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine
CID 80816916

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (CID 80828101) is 5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is Nc1ncc(F)c(NCCc2nccs2)n1.
What is the InChIKey of 5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is HMJSGQKBPFCSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5S/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-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 239.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80828101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).