N-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C23H22FN3S — CID 21011069

IUPACN-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccc(C(C)(C)C)cc3)c2c1-c1ccc(F)cc1
InChIInChI=1S/C23H22FN3S/c1-14-19(15-5-9-17(24)10-6-15)20-21(25-13-26-22(20)28-14)27-18-11-7-16(8-12-18)23(2,3)4/h5-13H,1-4H3,(H,25,26,27)
InChIKeyPLIKMYOANLQQNL-UHFFFAOYSA-N
MW391.52 g/mol
LogP6.85
Rot. Bonds3

About N-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

N-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 21011069) has the molecular formula C23H22FN3S and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID21011069
Molecular FormulaC23H22FN3S
Molecular Weight391.52 g/mol
Exact Mass391.15
IUPAC NameN-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccc(C(C)(C)C)cc3)c2c1-c1ccc(F)cc1
InChIInChI=1S/C23H22FN3S/c1-14-19(15-5-9-17(24)10-6-15)20-21(25-13-26-22(20)28-14)27-18-11-7-16(8-12-18)23(2,3)4/h5-13H,1-4H3,(H,25,26,27)
InChIKeyPLIKMYOANLQQNL-UHFFFAOYSA-N
XLogP6.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-N,4-N-dimethyl-1-N-[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 21012140
4-[[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 21011363
N-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 28695559
4-N-[5-(4-ethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 28852465
5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010083
N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009771
5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009851
4-N-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 28850735
[4-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl] thiocyanate
CID 21012084
4-chloro-2-[[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011500

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 21011069) is N-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(Nc3ccc(C(C)(C)C)cc3)c2c1-c1ccc(F)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PLIKMYOANLQQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3S/c1-14-19(15-5-9-17(24)10-6-15)20-21(25-13-26-22(20)28-14)27-18-11-7-16(8-12-18)23(2,3)4/h5-13H,1-4H3,(H,25,26,27).
What are the key properties of N-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 391.52 g/mol, XLogP of 6.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21011069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).