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

C10H10ClFN4S — CID 79075801

IUPAC2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1csc(C(C)Nc2nc(Cl)ncc2F)n1
InChIInChI=1S/C10H10ClFN4S/c1-5-4-17-9(14-5)6(2)15-8-7(12)3-13-10(11)16-8/h3-4,6H,1-2H3,(H,13,15,16)
InChIKeyYDCOBSWKRRJHHC-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.21
Rot. Bonds3

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

2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 79075801) has the molecular formula C10H10ClFN4S and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID79075801
Molecular FormulaC10H10ClFN4S
Molecular Weight272.74 g/mol
Exact Mass272.03
IUPAC Name2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1csc(C(C)Nc2nc(Cl)ncc2F)n1
InChIInChI=1S/C10H10ClFN4S/c1-5-4-17-9(14-5)6(2)15-8-7(12)3-13-10(11)16-8/h3-4,6H,1-2H3,(H,13,15,16)
InChIKeyYDCOBSWKRRJHHC-UHFFFAOYSA-N
XLogP3.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.21
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-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (CID 79075801) is 2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is Cc1csc(C(C)Nc2nc(Cl)ncc2F)n1.
What is the InChIKey of 2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is YDCOBSWKRRJHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4S/c1-5-4-17-9(14-5)6(2)15-8-7(12)3-13-10(11)16-8/h3-4,6H,1-2H3,(H,13,15,16).
What are the key properties of 2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 272.74 g/mol, XLogP of 3.21, 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-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 79075801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).