N-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine

C23H21N3S — CID 21011783

IUPACN-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc3scc(-c4ccc5c(c4)CCCC5)c23)cc1
InChIInChI=1S/C23H21N3S/c1-15-6-10-19(11-7-15)26-22-21-20(13-27-23(21)25-14-24-22)18-9-8-16-4-2-3-5-17(16)12-18/h6-14H,2-5H2,1H3,(H,24,25,26)
InChIKeyMNJQAWRPEVXPPG-UHFFFAOYSA-N
MW371.51 g/mol
LogP6.29
Rot. Bonds3

About N-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine

N-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 21011783) has the molecular formula C23H21N3S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID21011783
Molecular FormulaC23H21N3S
Molecular Weight371.51 g/mol
Exact Mass371.15
IUPAC NameN-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc3scc(-c4ccc5c(c4)CCCC5)c23)cc1
InChIInChI=1S/C23H21N3S/c1-15-6-10-19(11-7-15)26-22-21-20(13-27-23(21)25-14-24-22)18-9-8-16-4-2-3-5-17(16)12-18/h6-14H,2-5H2,1H3,(H,24,25,26)
InChIKeyMNJQAWRPEVXPPG-UHFFFAOYSA-N
XLogP6.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.51
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 21012326
N-(3,4-diethoxyphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 28505249
N-(2-chloro-4,6-dimethylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 110659949
5-(3,4-dimethylphenyl)-N-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635988
2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011492
2-methyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 28843697
5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 7673774
5-(3,4-dimethylphenyl)-N-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635985
4-ethylsulfonyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011851
N-(4-methylphenyl)-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635775
5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3820162
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 7636559

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 21011783) is N-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(Nc2ncnc3scc(-c4ccc5c(c4)CCCC5)c23)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MNJQAWRPEVXPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3S/c1-15-6-10-19(11-7-15)26-22-21-20(13-27-23(21)25-14-24-22)18-9-8-16-4-2-3-5-17(16)12-18/h6-14H,2-5H2,1H3,(H,24,25,26).
What are the key properties of N-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine?
N-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 371.51 g/mol, XLogP of 6.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21011783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).