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

C9H8ClFN4S — CID 79075576

IUPAC2-chloro-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCCc1nccs1
InChIInChI=1S/C9H8ClFN4S/c10-9-14-5-6(11)8(15-9)13-2-1-7-12-3-4-16-7/h3-5H,1-2H2,(H,13,14,15)
InChIKeyVVYLBHVLDWXMEC-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.38
Rot. Bonds4

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

2-chloro-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 79075576) has the molecular formula C9H8ClFN4S and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID79075576
Molecular FormulaC9H8ClFN4S
Molecular Weight258.71 g/mol
Exact Mass258.01
IUPAC Name2-chloro-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCCc1nccs1
InChIInChI=1S/C9H8ClFN4S/c10-9-14-5-6(11)8(15-9)13-2-1-7-12-3-4-16-7/h3-5H,1-2H2,(H,13,14,15)
InChIKeyVVYLBHVLDWXMEC-UHFFFAOYSA-N
XLogP2.38
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.38
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-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (CID 79075576) is 2-chloro-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is Fc1cnc(Cl)nc1NCCc1nccs1.
What is the InChIKey of 2-chloro-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is VVYLBHVLDWXMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4S/c10-9-14-5-6(11)8(15-9)13-2-1-7-12-3-4-16-7/h3-5H,1-2H2,(H,13,14,15).
What are the key properties of 2-chloro-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 258.71 g/mol, XLogP of 2.38, 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-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 79075576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).