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

C19H13ClFN3S — CID 21010083

IUPAC5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3cccc(F)c3)c2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClFN3S/c1-11-16(12-5-7-13(20)8-6-12)17-18(22-10-23-19(17)25-11)24-15-4-2-3-14(21)9-15/h2-10H,1H3,(H,22,23,24)
InChIKeyDHXZCNGADWTMKD-UHFFFAOYSA-N
MW369.85 g/mol
LogP6.20
Rot. Bonds3

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

5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 21010083) has the molecular formula C19H13ClFN3S and a molecular weight of 369.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID21010083
Molecular FormulaC19H13ClFN3S
Molecular Weight369.85 g/mol
Exact Mass369.05
IUPAC Name5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3cccc(F)c3)c2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClFN3S/c1-11-16(12-5-7-13(20)8-6-12)17-18(22-10-23-19(17)25-11)24-15-4-2-3-14(21)9-15/h2-10H,1H3,(H,22,23,24)
InChIKeyDHXZCNGADWTMKD-UHFFFAOYSA-N
XLogP6.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010171
5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009851
N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 769518
5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009828
5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010002
propan-2-yl 3-[[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21012632
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
3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 21009748
3-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile
CID 21010498
5-(3,4-dimethylphenyl)-6-methyl-N-(3-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28505317

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 21010083) is 5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(Nc3cccc(F)c3)c2c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DHXZCNGADWTMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3S/c1-11-16(12-5-7-13(20)8-6-12)17-18(22-10-23-19(17)25-11)24-15-4-2-3-14(21)9-15/h2-10H,1H3,(H,22,23,24).
What are the key properties of 5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 369.85 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21010083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).