6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine

C20H13F4N3S — CID 101365146

IUPAC6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESFc1ccc(-c2cc3ncnc(NCc4cccc(C(F)(F)F)c4)c3s2)cc1
InChIInChI=1S/C20H13F4N3S/c21-15-6-4-13(5-7-15)17-9-16-18(28-17)19(27-11-26-16)25-10-12-2-1-3-14(8-12)20(22,23)24/h1-9,11H,10H2,(H,25,26,27)
InChIKeyQQXIYIHDUKSTMT-UHFFFAOYSA-N
MW403.40 g/mol
LogP6.13
Rot. Bonds4

About 6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine

6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 101365146) has the molecular formula C20H13F4N3S and a molecular weight of 403.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID101365146
Molecular FormulaC20H13F4N3S
Molecular Weight403.40 g/mol
Exact Mass403.08
IUPAC Name6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESFc1ccc(-c2cc3ncnc(NCc4cccc(C(F)(F)F)c4)c3s2)cc1
InChIInChI=1S/C20H13F4N3S/c21-15-6-4-13(5-7-15)17-9-16-18(28-17)19(27-11-26-16)25-10-12-2-1-3-14(8-12)20(22,23)24/h1-9,11H,10H2,(H,25,26,27)
InChIKeyQQXIYIHDUKSTMT-UHFFFAOYSA-N
XLogP6.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.40
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 142682778
6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 25167010
N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 4782307
6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 103867430
6-chloro-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,5-diamine
CID 62663421
chloromethane;2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 155686412
6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 63729574
N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
CID 25164407
5-[4-(1,3-benzodioxol-5-ylmethylamino)thieno[3,2-d]pyrimidin-6-yl]-2-fluorobenzonitrile
CID 25166380
N-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 143741193
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-propan-2-ylphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 25166186
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine (CID 101365146) is 6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine is Fc1ccc(-c2cc3ncnc(NCc4cccc(C(F)(F)F)c4)c3s2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is QQXIYIHDUKSTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N3S/c21-15-6-4-13(5-7-15)17-9-16-18(28-17)19(27-11-26-16)25-10-12-2-1-3-14(8-12)20(22,23)24/h1-9,11H,10H2,(H,25,26,27).
What are the key properties of 6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 403.40 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 101365146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).