[4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol

C21H16F3N3O3S — CID 45275289

IUPAC[4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)c1cc2c(N)nc(-c3cccc(OC(F)(F)F)c3)nc2s1
InChIInChI=1S/C21H16F3N3O3S/c1-29-15-8-3-2-7-13(15)17(28)16-10-14-18(25)26-19(27-20(14)31-16)11-5-4-6-12(9-11)30-21(22,23)24/h2-10,17,28H,1H3,(H2,25,26,27)
InChIKeyLFJBBNSXJNJUFU-UHFFFAOYSA-N
MW447.44 g/mol
LogP4.93
Rot. Bonds5

About [4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol

[4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol (PubChem CID 45275289) has the molecular formula C21H16F3N3O3S and a molecular weight of 447.44 g/mol. Its IUPAC name is [4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol.

Molecular Properties

Compound Name[4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol
PubChem CID45275289
Molecular FormulaC21H16F3N3O3S
Molecular Weight447.44 g/mol
Exact Mass447.09
IUPAC Name[4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)c1cc2c(N)nc(-c3cccc(OC(F)(F)F)c3)nc2s1
InChIInChI=1S/C21H16F3N3O3S/c1-29-15-8-3-2-7-13(15)17(28)16-10-14-18(25)26-19(27-20(14)31-16)11-5-4-6-12(9-11)30-21(22,23)24/h2-10,17,28H,1H3,(H2,25,26,27)
InChIKeyLFJBBNSXJNJUFU-UHFFFAOYSA-N
XLogP4.93
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol with MolForge

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Related Compounds

[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol
CID 45136851
[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol
CID 59278013
5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 107105171
2-(3-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 61025887
[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol
CID 59279446
5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 107105178
(3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105066282
7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine
CID 64983270
2-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107105157
[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol
CID 45275518
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45278785

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol?
The IUPAC name of [4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol (CID 45275289) is [4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol.
What is the SMILES notation for [4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol?
The canonical SMILES for [4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol is COc1ccccc1C(O)c1cc2c(N)nc(-c3cccc(OC(F)(F)F)c3)nc2s1.
What is the InChIKey of [4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol?
The InChIKey is LFJBBNSXJNJUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O3S/c1-29-15-8-3-2-7-13(15)17(28)16-10-14-18(25)26-19(27-20(14)31-16)11-5-4-6-12(9-11)30-21(22,23)24/h2-10,17,28H,1H3,(H2,25,26,27).
What are the key properties of [4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol?
[4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol has a molecular weight of 447.44 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol is sourced from PubChem (CID 45275289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).