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

C15H20FN5OS — CID 50948196

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCCc1nc(C)sc1CNc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H20FN5OS/c1-3-12-13(23-10(2)19-12)9-18-15-17-8-11(16)14(20-15)21-4-6-22-7-5-21/h8H,3-7,9H2,1-2H3,(H,17,18,20)
InChIKeyNLRSMBRLJYSCMJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.39
Rot. Bonds5

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

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 50948196) has the molecular formula C15H20FN5OS and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID50948196
Molecular FormulaC15H20FN5OS
Molecular Weight337.42 g/mol
Exact Mass337.14
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCCc1nc(C)sc1CNc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H20FN5OS/c1-3-12-13(23-10(2)19-12)9-18-15-17-8-11(16)14(20-15)21-4-6-22-7-5-21/h8H,3-7,9H2,1-2H3,(H,17,18,20)
InChIKeyNLRSMBRLJYSCMJ-UHFFFAOYSA-N
XLogP2.39
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (CID 50948196) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is CCc1nc(C)sc1CNc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is NLRSMBRLJYSCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5OS/c1-3-12-13(23-10(2)19-12)9-18-15-17-8-11(16)14(20-15)21-4-6-22-7-5-21/h8H,3-7,9H2,1-2H3,(H,17,18,20).
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 337.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 50948196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).