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

C10H10ClFN4S — CID 106038208

IUPAC2-chloro-5-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(CCNc2nc(Cl)ncc2F)cs1
InChIInChI=1S/C10H10ClFN4S/c1-6-15-7(5-17-6)2-3-13-9-8(12)4-14-10(11)16-9/h4-5H,2-3H2,1H3,(H,13,14,16)
InChIKeySFPCHVCZKOLAAA-UHFFFAOYSA-N
MW272.74 g/mol
LogP2.69
Rot. Bonds4

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

2-chloro-5-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 106038208) has the molecular formula C10H10ClFN4S and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID106038208
Molecular FormulaC10H10ClFN4S
Molecular Weight272.74 g/mol
Exact Mass272.03
IUPAC Name2-chloro-5-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(CCNc2nc(Cl)ncc2F)cs1
InChIInChI=1S/C10H10ClFN4S/c1-6-15-7(5-17-6)2-3-13-9-8(12)4-14-10(11)16-9/h4-5H,2-3H2,1H3,(H,13,14,16)
InChIKeySFPCHVCZKOLAAA-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (CID 106038208) is 2-chloro-5-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is Cc1nc(CCNc2nc(Cl)ncc2F)cs1.
What is the InChIKey of 2-chloro-5-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is SFPCHVCZKOLAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4S/c1-6-15-7(5-17-6)2-3-13-9-8(12)4-14-10(11)16-9/h4-5H,2-3H2,1H3,(H,13,14,16).
What are the key properties of 2-chloro-5-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 272.74 g/mol, XLogP of 2.69, 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-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106038208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).