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

C22H22ClN3S — CID 44635985

IUPAC5-(3,4-dimethylphenyl)-N-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1ccc(Nc2ncnc3scc(-c4ccc(C)c(C)c4)c23)cc1.Cl
InChIInChI=1S/C22H21N3S.ClH/c1-4-16-6-9-18(10-7-16)25-21-20-19(12-26-22(20)24-13-23-21)17-8-5-14(2)15(3)11-17;/h5-13H,4H2,1-3H3,(H,23,24,25);1H
InChIKeyIYNUFZLTICSJCU-UHFFFAOYSA-N
MW395.96 g/mol
LogP6.70
Rot. Bonds4

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

5-(3,4-dimethylphenyl)-N-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 44635985) has the molecular formula C22H22ClN3S and a molecular weight of 395.96 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID44635985
Molecular FormulaC22H22ClN3S
Molecular Weight395.96 g/mol
Exact Mass395.12
IUPAC Name5-(3,4-dimethylphenyl)-N-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1ccc(Nc2ncnc3scc(-c4ccc(C)c(C)c4)c23)cc1.Cl
InChIInChI=1S/C22H21N3S.ClH/c1-4-16-6-9-18(10-7-16)25-21-20-19(12-26-22(20)24-13-23-21)17-8-5-14(2)15(3)11-17;/h5-13H,4H2,1-3H3,(H,23,24,25);1H
InChIKeyIYNUFZLTICSJCU-UHFFFAOYSA-N
XLogP6.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.96
LogP ≤ 56.70
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-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635991
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 7636559
5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 7673774
methyl 4-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate;hydrochloride
CID 44636003
ethyl 3-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate;hydrochloride
CID 44636009
5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21012287
5-(4-ethylphenyl)-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012212
3-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-methylbenzoic acid
CID 21012436
4-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-methylphenol
CID 21010234
N-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 21011783
N-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011399

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride (CID 44635985) is 5-(3,4-dimethylphenyl)-N-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride is CCc1ccc(Nc2ncnc3scc(-c4ccc(C)c(C)c4)c23)cc1.Cl.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is IYNUFZLTICSJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3S.ClH/c1-4-16-6-9-18(10-7-16)25-21-20-19(12-26-22(20)24-13-23-21)17-8-5-14(2)15(3)11-17;/h5-13H,4H2,1-3H3,(H,23,24,25);1H.
What are the key properties of 5-(3,4-dimethylphenyl)-N-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
5-(3,4-dimethylphenyl)-N-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 395.96 g/mol, XLogP of 6.70, 4 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-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 44635985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).