N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride

C18H13ClFN3S — CID 44635739

IUPACN-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Fc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C18H12FN3S.ClH/c19-13-6-8-14(9-7-13)22-17-15-10-16(12-4-2-1-3-5-12)23-18(15)21-11-20-17;/h1-11H,(H,20,21,22);1H
InChIKeySKDSAJWEHISLJA-UHFFFAOYSA-N
MW357.84 g/mol
LogP5.66
Rot. Bonds3

About N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride

N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 44635739) has the molecular formula C18H13ClFN3S and a molecular weight of 357.84 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID44635739
Molecular FormulaC18H13ClFN3S
Molecular Weight357.84 g/mol
Exact Mass357.05
IUPAC NameN-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Fc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C18H12FN3S.ClH/c19-13-6-8-14(9-7-13)22-17-15-10-16(12-4-2-1-3-5-12)23-18(15)21-11-20-17;/h1-11H,(H,20,21,22);1H
InChIKeySKDSAJWEHISLJA-UHFFFAOYSA-N
XLogP5.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4882445
N-[4-(2-methylsulfonylethyl)phenyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133398054
dimethyl 5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate
CID 1039308
6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 2974524
4-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 58810662
6-phenylthieno[2,3-d]pyrimidine-4-thiolate
CID 7059157
[[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-phosphonomethyl]phosphonic acid
CID 71583207
2-(4-hydroxypiperidin-1-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
CID 133324876
N-(cyclohexylideneamino)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9409544
N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4783172
N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7831254
6-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 167844466

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride (CID 44635739) is N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride is Cl.Fc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is SKDSAJWEHISLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3S.ClH/c19-13-6-8-14(9-7-13)22-17-15-10-16(12-4-2-1-3-5-12)23-18(15)21-11-20-17;/h1-11H,(H,20,21,22);1H.
What are the key properties of N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 357.84 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 44635739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).