5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

C25H18FN3OS — CID 28695595

IUPAC5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccccc3Oc3ccccc3)c2c1-c1ccc(F)cc1
InChIInChI=1S/C25H18FN3OS/c1-16-22(17-11-13-18(26)14-12-17)23-24(27-15-28-25(23)31-16)29-20-9-5-6-10-21(20)30-19-7-3-2-4-8-19/h2-15H,1H3,(H,27,28,29)
InChIKeyLWPHPXAYJBVAOQ-UHFFFAOYSA-N
MW427.50 g/mol
LogP7.34
Rot. Bonds5

About 5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 28695595) has the molecular formula C25H18FN3OS and a molecular weight of 427.50 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID28695595
Molecular FormulaC25H18FN3OS
Molecular Weight427.50 g/mol
Exact Mass427.12
IUPAC Name5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccccc3Oc3ccccc3)c2c1-c1ccc(F)cc1
InChIInChI=1S/C25H18FN3OS/c1-16-22(17-11-13-18(26)14-12-17)23-24(27-15-28-25(23)31-16)29-20-9-5-6-10-21(20)30-19-7-3-2-4-8-19/h2-15H,1H3,(H,27,28,29)
InChIKeyLWPHPXAYJBVAOQ-UHFFFAOYSA-N
XLogP7.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]anthracene-9,10-dione
CID 28695419
5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009828
2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011484
N-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 28695559
N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009771
4-chloro-2-[[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011500
N-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21011069
4-[[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 21012308
N-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 28505195
5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 2132427
N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 18593654
1-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]anthracene-9,10-dione
CID 28695438

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 28695595) is 5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(Nc3ccccc3Oc3ccccc3)c2c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LWPHPXAYJBVAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3OS/c1-16-22(17-11-13-18(26)14-12-17)23-24(27-15-28-25(23)31-16)29-20-9-5-6-10-21(20)30-19-7-3-2-4-8-19/h2-15H,1H3,(H,27,28,29).
What are the key properties of 5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 427.50 g/mol, XLogP of 7.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 28695595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).