4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine

C23H24N2S — CID 153428560

IUPAC4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine
SMILESCC(C)c1cc2ncnc(-c3cc(C(C)(C)C)c4ccccc4c3)c2s1
InChIInChI=1S/C23H24N2S/c1-14(2)20-12-19-22(26-20)21(25-13-24-19)16-10-15-8-6-7-9-17(15)18(11-16)23(3,4)5/h6-14H,1-5H3
InChIKeyVKKBAZIRQWYZIB-UHFFFAOYSA-N
MW360.53 g/mol
LogP6.93
Rot. Bonds2

About 4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine

4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine (PubChem CID 153428560) has the molecular formula C23H24N2S and a molecular weight of 360.53 g/mol. Its IUPAC name is 4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine
PubChem CID153428560
Molecular FormulaC23H24N2S
Molecular Weight360.53 g/mol
Exact Mass360.17
IUPAC Name4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine
SMILESCC(C)c1cc2ncnc(-c3cc(C(C)(C)C)c4ccccc4c3)c2s1
InChIInChI=1S/C23H24N2S/c1-14(2)20-12-19-22(26-20)21(25-13-24-19)16-10-15-8-6-7-9-17(15)18(11-16)23(3,4)5/h6-14H,1-5H3
InChIKeyVKKBAZIRQWYZIB-UHFFFAOYSA-N
XLogP6.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.53
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine
CID 156629468
4-(4-tert-butylnaphthalen-2-yl)-6-(3,4-dimethyl-5-phenylthiophen-2-yl)-7-methylthieno[3,2-d]pyrimidine
CID 163493015
6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline
CID 167354676
7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
CID 168852963
7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine
CID 172542957
15-(4-tert-butylnaphthalen-2-yl)-4-(2-methylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 154599278
4-(4-tert-butylnaphthalen-2-yl)-7-isocyano-6-methyl-[1]benzothiolo[3,2-d]pyrimidine
CID 164783347
15-(4-tert-butylnaphthalen-2-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene
CID 171581251
6-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-d]pyrimidine
CID 171717812
7-(4-tert-butylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-ylthieno[2,3-c]pyridine
CID 163485977
6-(4-tert-butylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]quinoline
CID 167354335
1-(4-tert-butylnaphthalen-2-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 168852879

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine (CID 153428560) is 4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine is CC(C)c1cc2ncnc(-c3cc(C(C)(C)C)c4ccccc4c3)c2s1.
What is the InChIKey of 4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine?
The InChIKey is VKKBAZIRQWYZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2S/c1-14(2)20-12-19-22(26-20)21(25-13-24-19)16-10-15-8-6-7-9-17(15)18(11-16)23(3,4)5/h6-14H,1-5H3.
What are the key properties of 4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine?
4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine has a molecular weight of 360.53 g/mol, XLogP of 6.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 153428560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).