2,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)sulfanylquinazoline

C21H24N2S — CID 20806312

IUPAC2,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)sulfanylquinazoline
SMILESCc1nc(C)c2c(Sc3c(C)c(C)c(C)c(C)c3C)cccc2n1
InChIInChI=1S/C21H24N2S/c1-11-12(2)14(4)21(15(5)13(11)3)24-19-10-8-9-18-20(19)16(6)22-17(7)23-18/h8-10H,1-7H3
InChIKeyKLSHONWKSHDGNP-UHFFFAOYSA-N
MW336.50 g/mol
LogP5.94
Rot. Bonds2

About 2,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)sulfanylquinazoline

2,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)sulfanylquinazoline (PubChem CID 20806312) has the molecular formula C21H24N2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 2,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)sulfanylquinazoline.

Molecular Properties

Compound Name2,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)sulfanylquinazoline
PubChem CID20806312
Molecular FormulaC21H24N2S
Molecular Weight336.50 g/mol
Exact Mass336.17
IUPAC Name2,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)sulfanylquinazoline
SMILESCc1nc(C)c2c(Sc3c(C)c(C)c(C)c(C)c3C)cccc2n1
InChIInChI=1S/C21H24N2S/c1-11-12(2)14(4)21(15(5)13(11)3)24-19-10-8-9-18-20(19)16(6)22-17(7)23-18/h8-10H,1-7H3
InChIKeyKLSHONWKSHDGNP-UHFFFAOYSA-N
XLogP5.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.50
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-difluoro-2-methylquinazoline
CID 141141506
3,4,5-trifluoro-2-methylquinoline
CID 54570448
5-bromo-2-methylquinazolin-4-amine
CID 133060351
5-iodo-2-methylquinazolin-4-amine
CID 133060657
4-bromo-2-methyl-5-nitroquinazoline
CID 106584479
1,2,3,4,5,6,7,8-octamethylnaphthalene;2,4,5,6-tetramethylpyrimidine
CID 91135840
(5-fluoro-4-methylquinazolin-2-yl)methanol
CID 177177290
hexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine
CID 159474049
2-methyl-5-pyridin-2-ylsulfanyl-3H-quinazolin-4-one
CID 135438181
2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine
CID 21363956
tris(2,3,4,5,6-pentamethylpyridine);tris(2,4,5,6-tetramethylpyrimidine)
CID 157180275
2-(3-methylquinoxalin-2-yl)sulfanylphenol
CID 55067487

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)sulfanylquinazoline?
The IUPAC name of 2,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)sulfanylquinazoline (CID 20806312) is 2,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)sulfanylquinazoline.
What is the SMILES notation for 2,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)sulfanylquinazoline?
The canonical SMILES for 2,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)sulfanylquinazoline is Cc1nc(C)c2c(Sc3c(C)c(C)c(C)c(C)c3C)cccc2n1.
What is the InChIKey of 2,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)sulfanylquinazoline?
The InChIKey is KLSHONWKSHDGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2S/c1-11-12(2)14(4)21(15(5)13(11)3)24-19-10-8-9-18-20(19)16(6)22-17(7)23-18/h8-10H,1-7H3.
What are the key properties of 2,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)sulfanylquinazoline?
2,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)sulfanylquinazoline has a molecular weight of 336.50 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)sulfanylquinazoline is sourced from PubChem (CID 20806312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).