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

C20H16FN3S — CID 7673774

IUPAC5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2csc3ncnc(Nc4ccc(F)cc4)c23)cc1C
InChIInChI=1S/C20H16FN3S/c1-12-3-4-14(9-13(12)2)17-10-25-20-18(17)19(22-11-23-20)24-16-7-5-15(21)6-8-16/h3-11H,1-2H3,(H,22,23,24)
InChIKeyUYOOFQQKHLIXOF-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.86
Rot. Bonds3

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

5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 7673774) has the molecular formula C20H16FN3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID7673774
Molecular FormulaC20H16FN3S
Molecular Weight349.43 g/mol
Exact Mass349.10
IUPAC Name5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2csc3ncnc(Nc4ccc(F)cc4)c23)cc1C
InChIInChI=1S/C20H16FN3S/c1-12-3-4-14(9-13(12)2)17-10-25-20-18(17)19(22-11-23-20)24-16-7-5-15(21)6-8-16/h3-11H,1-2H3,(H,22,23,24)
InChIKeyUYOOFQQKHLIXOF-UHFFFAOYSA-N
XLogP5.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylphenyl)-N-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635988
5-(3,4-dimethylphenyl)-N-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635985
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 7636559
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635991
methyl 4-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate;hydrochloride
CID 44636003
4-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-methylphenol
CID 21010234
[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]arsonic acid
CID 112501307
5-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21011948
5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 9332987
2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid
CID 21009469
N-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011399
N-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 21011783

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 7673774) is 5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2csc3ncnc(Nc4ccc(F)cc4)c23)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UYOOFQQKHLIXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3S/c1-12-3-4-14(9-13(12)2)17-10-25-20-18(17)19(22-11-23-20)24-16-7-5-15(21)6-8-16/h3-11H,1-2H3,(H,22,23,24).
What are the key properties of 5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 349.43 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 7673774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).