5-(2-aminopyrimidin-4-yl)-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]thiophene-2-carboxamide

C18H17FN4O2S — CID 11537999

IUPAC5-(2-aminopyrimidin-4-yl)-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(-c3ccnc(N)n3)s2)c(F)c1
InChIInChI=1S/C18H17FN4O2S/c1-25-12-3-2-11(13(19)10-12)6-8-21-17(24)16-5-4-15(26-16)14-7-9-22-18(20)23-14/h2-5,7,9-10H,6,8H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeyLANAZOCDBPOFPX-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.91
Rot. Bonds6

About 5-(2-aminopyrimidin-4-yl)-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]thiophene-2-carboxamide

5-(2-aminopyrimidin-4-yl)-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 11537999) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID11537999
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name5-(2-aminopyrimidin-4-yl)-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(-c3ccnc(N)n3)s2)c(F)c1
InChIInChI=1S/C18H17FN4O2S/c1-25-12-3-2-11(13(19)10-12)6-8-21-17(24)16-5-4-15(26-16)14-7-9-22-18(20)23-14/h2-5,7,9-10H,6,8H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeyLANAZOCDBPOFPX-UHFFFAOYSA-N
XLogP2.91
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]thiophene-2-carboxamide (CID 11537999) is 5-(2-aminopyrimidin-4-yl)-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]thiophene-2-carboxamide is COc1ccc(CCNC(=O)c2ccc(-c3ccnc(N)n3)s2)c(F)c1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is LANAZOCDBPOFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-25-12-3-2-11(13(19)10-12)6-8-21-17(24)16-5-4-15(26-16)14-7-9-22-18(20)23-14/h2-5,7,9-10H,6,8H2,1H3,(H,21,24)(H2,20,22,23).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
5-(2-aminopyrimidin-4-yl)-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 11537999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).