N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride

C19H16ClN3S — CID 22112828

IUPACN-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCl.c1ccc(Cc2ccc(Nc3ncnc4ccsc34)cc2)cc1
InChIInChI=1S/C19H15N3S.ClH/c1-2-4-14(5-3-1)12-15-6-8-16(9-7-15)22-19-18-17(10-11-23-18)20-13-21-19;/h1-11,13H,12H2,(H,20,21,22);1H
InChIKeyRVPPPWFQLYKPGM-UHFFFAOYSA-N
MW353.88 g/mol
LogP5.45
Rot. Bonds4

About N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride

N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 22112828) has the molecular formula C19H16ClN3S and a molecular weight of 353.88 g/mol. Its IUPAC name is N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID22112828
Molecular FormulaC19H16ClN3S
Molecular Weight353.88 g/mol
Exact Mass353.08
IUPAC NameN-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCl.c1ccc(Cc2ccc(Nc3ncnc4ccsc34)cc2)cc1
InChIInChI=1S/C19H15N3S.ClH/c1-2-4-14(5-3-1)12-15-6-8-16(9-7-15)22-19-18-17(10-11-23-18)20-13-21-19;/h1-11,13H,12H2,(H,20,21,22);1H
InChIKeyRVPPPWFQLYKPGM-UHFFFAOYSA-N
XLogP5.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.88
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-benzylphenyl)thieno[3,2-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

1-[4-(4-Aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea
CID 6539985
Benzothieno[3,2-d]pyrimidine deriv. 61
CID 5328409
Benzothieno[3,2-d]pyrimidine deriv. 63
CID 5328411
Benzothieno[3,2-d]pyrimidine deriv. 64
CID 5328412
Benzyl-(2-thiophen-2-yl-quinazolin-4-yl)-amine
CID 2573787
N-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine
CID 5328383
Benzothieno[3,2-d]pyrimidine deriv. 51
CID 5328399
Benzothieno[3,2-d]pyrimidine deriv. 52
CID 5328400
Benzothieno[3,2-d]pyrimidine deriv. 53
CID 5328401
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-phenylurea
CID 6539971
Thienopyrimidine deriv. 12
CID 6539989
6-Phenyl-thieno[3,2-d]pyrimidin-4-ylamine
CID 11499583

Frequently Asked Questions

What is the IUPAC name of N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride (CID 22112828) is N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride is Cl.c1ccc(Cc2ccc(Nc3ncnc4ccsc34)cc2)cc1.
What is the InChIKey of N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is RVPPPWFQLYKPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S.ClH/c1-2-4-14(5-3-1)12-15-6-8-16(9-7-15)22-19-18-17(10-11-23-18)20-13-21-19;/h1-11,13H,12H2,(H,20,21,22);1H.
What are the key properties of N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride?
N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 22112828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).