5-amino-2-(cyclobutylmethoxy)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

C19H17F3N4O2S — CID 67288754

IUPAC5-amino-2-(cyclobutylmethoxy)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(OCC3CCC3)nc(-c3cccc(C(F)(F)F)c3)c2c1N
InChIInChI=1S/C19H17F3N4O2S/c20-19(21,22)11-6-2-5-10(7-11)14-12-13(23)15(16(24)27)29-17(12)26-18(25-14)28-8-9-3-1-4-9/h2,5-7,9H,1,3-4,8,23H2,(H2,24,27)
InChIKeyBMIGXJYAFVBSMW-UHFFFAOYSA-N
MW422.43 g/mol
LogP4.24
Rot. Bonds5

About 5-amino-2-(cyclobutylmethoxy)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-2-(cyclobutylmethoxy)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 67288754) has the molecular formula C19H17F3N4O2S and a molecular weight of 422.43 g/mol. Its IUPAC name is 5-amino-2-(cyclobutylmethoxy)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(cyclobutylmethoxy)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID67288754
Molecular FormulaC19H17F3N4O2S
Molecular Weight422.43 g/mol
Exact Mass422.10
IUPAC Name5-amino-2-(cyclobutylmethoxy)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(OCC3CCC3)nc(-c3cccc(C(F)(F)F)c3)c2c1N
InChIInChI=1S/C19H17F3N4O2S/c20-19(21,22)11-6-2-5-10(7-11)14-12-13(23)15(16(24)27)29-17(12)26-18(25-14)28-8-9-3-1-4-9/h2,5-7,9H,1,3-4,8,23H2,(H2,24,27)
InChIKeyBMIGXJYAFVBSMW-UHFFFAOYSA-N
XLogP4.24
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 87785546
CID 87785546
cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 159585997
4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine
CID 144632491
2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623990
methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635398
1-[(2S)-2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-cyclopentylethanone
CID 95837022
N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46083086
N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58791312
3-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 154462477
methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 131871458
3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 11494474
4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 163816150

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclobutylmethoxy)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(cyclobutylmethoxy)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 67288754) is 5-amino-2-(cyclobutylmethoxy)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(cyclobutylmethoxy)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(cyclobutylmethoxy)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1sc2nc(OCC3CCC3)nc(-c3cccc(C(F)(F)F)c3)c2c1N.
What is the InChIKey of 5-amino-2-(cyclobutylmethoxy)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BMIGXJYAFVBSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2S/c20-19(21,22)11-6-2-5-10(7-11)14-12-13(23)15(16(24)27)29-17(12)26-18(25-14)28-8-9-3-1-4-9/h2,5-7,9H,1,3-4,8,23H2,(H2,24,27).
What are the key properties of 5-amino-2-(cyclobutylmethoxy)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(cyclobutylmethoxy)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 422.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclobutylmethoxy)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 67288754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).