6-ethyl-5-fluoro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-4-amine

C14H19FN4OS — CID 133418826

IUPAC6-ethyl-5-fluoro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-4-amine
SMILESCCc1ncnc(N(C)Cc2csc(C(C)OC)n2)c1F
InChIInChI=1S/C14H19FN4OS/c1-5-11-12(15)13(17-8-16-11)19(3)6-10-7-21-14(18-10)9(2)20-4/h7-9H,5-6H2,1-4H3
InChIKeyROUYISWILSCEOB-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.98
Rot. Bonds6

About 6-ethyl-5-fluoro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-4-amine

6-ethyl-5-fluoro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-4-amine (PubChem CID 133418826) has the molecular formula C14H19FN4OS and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-4-amine
PubChem CID133418826
Molecular FormulaC14H19FN4OS
Molecular Weight310.40 g/mol
Exact Mass310.13
IUPAC Name6-ethyl-5-fluoro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-4-amine
SMILESCCc1ncnc(N(C)Cc2csc(C(C)OC)n2)c1F
InChIInChI=1S/C14H19FN4OS/c1-5-11-12(15)13(17-8-16-11)19(3)6-10-7-21-14(18-10)9(2)20-4/h7-9H,5-6H2,1-4H3
InChIKeyROUYISWILSCEOB-UHFFFAOYSA-N
XLogP2.98
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-4-amine (CID 133418826) is 6-ethyl-5-fluoro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-4-amine is CCc1ncnc(N(C)Cc2csc(C(C)OC)n2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-4-amine?
The InChIKey is ROUYISWILSCEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4OS/c1-5-11-12(15)13(17-8-16-11)19(3)6-10-7-21-14(18-10)9(2)20-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 6-ethyl-5-fluoro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-4-amine?
6-ethyl-5-fluoro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-4-amine has a molecular weight of 310.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 133418826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).