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

C14H18FN5OS — CID 134699236

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCCc1csc(CNc2ncc(F)c(N3CCOCC3)n2)n1
InChIInChI=1S/C14H18FN5OS/c1-2-10-9-22-12(18-10)8-17-14-16-7-11(15)13(19-14)20-3-5-21-6-4-20/h7,9H,2-6,8H2,1H3,(H,16,17,19)
InChIKeyZNCZRXIEPOBQFE-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.08
Rot. Bonds5

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

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 134699236) has the molecular formula C14H18FN5OS and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID134699236
Molecular FormulaC14H18FN5OS
Molecular Weight323.40 g/mol
Exact Mass323.12
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCCc1csc(CNc2ncc(F)c(N3CCOCC3)n2)n1
InChIInChI=1S/C14H18FN5OS/c1-2-10-9-22-12(18-10)8-17-14-16-7-11(15)13(19-14)20-3-5-21-6-4-20/h7,9H,2-6,8H2,1H3,(H,16,17,19)
InChIKeyZNCZRXIEPOBQFE-UHFFFAOYSA-N
XLogP2.08
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (CID 134699236) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is CCc1csc(CNc2ncc(F)c(N3CCOCC3)n2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is ZNCZRXIEPOBQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5OS/c1-2-10-9-22-12(18-10)8-17-14-16-7-11(15)13(19-14)20-3-5-21-6-4-20/h7,9H,2-6,8H2,1H3,(H,16,17,19).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 134699236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).