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

C20H16FN3OS — CID 25167010

IUPAC6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3cc(-c4ccc(F)cc4)sc23)cc1
InChIInChI=1S/C20H16FN3OS/c1-25-16-8-2-13(3-9-16)11-22-20-19-17(23-12-24-20)10-18(26-19)14-4-6-15(21)7-5-14/h2-10,12H,11H2,1H3,(H,22,23,24)
InChIKeySOBCFGGNAOGIJH-UHFFFAOYSA-N
MW365.43 g/mol
LogP5.12
Rot. Bonds5

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

6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 25167010) has the molecular formula C20H16FN3OS and a molecular weight of 365.43 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID25167010
Molecular FormulaC20H16FN3OS
Molecular Weight365.43 g/mol
Exact Mass365.10
IUPAC Name6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3cc(-c4ccc(F)cc4)sc23)cc1
InChIInChI=1S/C20H16FN3OS/c1-25-16-8-2-13(3-9-16)11-22-20-19-17(23-12-24-20)10-18(26-19)14-4-6-15(21)7-5-14/h2-10,12H,11H2,1H3,(H,22,23,24)
InChIKeySOBCFGGNAOGIJH-UHFFFAOYSA-N
XLogP5.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 101365146
(2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine
CID 166381478
N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 4782307
N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
CID 25164407
6-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 155537576
6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 166238983
N-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 143741193
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
1-(2-methoxyethyl)-3-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea
CID 10309522
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860201
N-(1,3-benzodioxol-5-ylmethyl)-6-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 25166185
1-N-(4-methoxyphenyl)-4-N-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 18383085

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine (CID 25167010) is 6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine is COc1ccc(CNc2ncnc3cc(-c4ccc(F)cc4)sc23)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is SOBCFGGNAOGIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS/c1-25-16-8-2-13(3-9-16)11-22-20-19-17(23-12-24-20)10-18(26-19)14-4-6-15(21)7-5-14/h2-10,12H,11H2,1H3,(H,22,23,24).
What are the key properties of 6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 365.43 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 25167010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).