2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine

C8H6ClFN4S — CID 79076198

IUPAC2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCc1cscn1
InChIInChI=1S/C8H6ClFN4S/c9-8-12-2-6(10)7(14-8)11-1-5-3-15-4-13-5/h2-4H,1H2,(H,11,12,14)
InChIKeyLPMXZVFFLREMKB-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.34
Rot. Bonds3

About 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine (PubChem CID 79076198) has the molecular formula C8H6ClFN4S and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
PubChem CID79076198
Molecular FormulaC8H6ClFN4S
Molecular Weight244.68 g/mol
Exact Mass244.00
IUPAC Name2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCc1cscn1
InChIInChI=1S/C8H6ClFN4S/c9-8-12-2-6(10)7(14-8)11-1-5-3-15-4-13-5/h2-4H,1H2,(H,11,12,14)
InChIKeyLPMXZVFFLREMKB-UHFFFAOYSA-N
XLogP2.34
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine (CID 79076198) is 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine is Fc1cnc(Cl)nc1NCc1cscn1.
What is the InChIKey of 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is LPMXZVFFLREMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4S/c9-8-12-2-6(10)7(14-8)11-1-5-3-15-4-13-5/h2-4H,1H2,(H,11,12,14).
What are the key properties of 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 244.68 g/mol, XLogP of 2.34, 3 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-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 79076198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).