2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine

C10H10ClFN4S — CID 79075696

IUPAC2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
SMILESCCC(Nc1nc(Cl)ncc1F)c1nccs1
InChIInChI=1S/C10H10ClFN4S/c1-2-7(9-13-3-4-17-9)15-8-6(12)5-14-10(11)16-8/h3-5,7H,2H2,1H3,(H,14,15,16)
InChIKeyLMAOFDLBWPUNCF-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.29
Rot. Bonds4

About 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine

2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine (PubChem CID 79075696) has the molecular formula C10H10ClFN4S and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
PubChem CID79075696
Molecular FormulaC10H10ClFN4S
Molecular Weight272.74 g/mol
Exact Mass272.03
IUPAC Name2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
SMILESCCC(Nc1nc(Cl)ncc1F)c1nccs1
InChIInChI=1S/C10H10ClFN4S/c1-2-7(9-13-3-4-17-9)15-8-6(12)5-14-10(11)16-8/h3-5,7H,2H2,1H3,(H,14,15,16)
InChIKeyLMAOFDLBWPUNCF-UHFFFAOYSA-N
XLogP3.29
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 71933043
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
2-chloro-5-fluoro-6-hydrazino-N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 86637003
6-chloro-5-fluoro-N-methyl-2-(methylthio)-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 86637012
6-chloro-5-fluoro-2-(methylthio)-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 86637013
5-fluoro-2-(methylthio)-6-[(1,3-thiazol-2-ylmethyl)amino]-4(1H)-pyrimidinone hydrazone
CID 86637014

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine (CID 79075696) is 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine is CCC(Nc1nc(Cl)ncc1F)c1nccs1.
What is the InChIKey of 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The InChIKey is LMAOFDLBWPUNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4S/c1-2-7(9-13-3-4-17-9)15-8-6(12)5-14-10(11)16-8/h3-5,7H,2H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine has a molecular weight of 272.74 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 79075696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).