4-[[(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine

C9H9ClFN5S — CID 86636959

IUPAC4-[[(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine
SMILESCc1nc(Cl)c(F)c(NCc2csc(N)n2)n1
InChIInChI=1S/C9H9ClFN5S/c1-4-14-7(10)6(11)8(15-4)13-2-5-3-17-9(12)16-5/h3H,2H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyGKENWGMTCBECMP-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.23
Rot. Bonds3

About 4-[[(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine

4-[[(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 86636959) has the molecular formula C9H9ClFN5S and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-[[(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID86636959
Molecular FormulaC9H9ClFN5S
Molecular Weight273.72 g/mol
Exact Mass273.03
IUPAC Name4-[[(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine
SMILESCc1nc(Cl)c(F)c(NCc2csc(N)n2)n1
InChIInChI=1S/C9H9ClFN5S/c1-4-14-7(10)6(11)8(15-4)13-2-5-3-17-9(12)16-5/h3H,2H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyGKENWGMTCBECMP-UHFFFAOYSA-N
XLogP2.23
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine (CID 86636959) is 4-[[(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine is Cc1nc(Cl)c(F)c(NCc2csc(N)n2)n1.
What is the InChIKey of 4-[[(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is GKENWGMTCBECMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN5S/c1-4-14-7(10)6(11)8(15-4)13-2-5-3-17-9(12)16-5/h3H,2H2,1H3,(H2,12,16)(H,13,14,15).
What are the key properties of 4-[[(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine?
4-[[(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 273.72 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86636959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).