6-methyl-7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine

C16H16N4O2S — CID 56666218

IUPAC6-methyl-7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine
SMILESCc1cc2c(N)nc(N)nc2cc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H16N4O2S/c1-9-7-13-14(19-16(18)20-15(13)17)8-12(9)10-3-5-11(6-4-10)23(2,21)22/h3-8H,1-2H3,(H4,17,18,19,20)
InChIKeyHFWXNEFGEGPRCI-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.17
Rot. Bonds2

About 6-methyl-7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine

6-methyl-7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine (PubChem CID 56666218) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 6-methyl-7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-methyl-7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine
PubChem CID56666218
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name6-methyl-7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine
SMILESCc1cc2c(N)nc(N)nc2cc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H16N4O2S/c1-9-7-13-14(19-16(18)20-15(13)17)8-12(9)10-3-5-11(6-4-10)23(2,21)22/h3-8H,1-2H3,(H4,17,18,19,20)
InChIKeyHFWXNEFGEGPRCI-UHFFFAOYSA-N
XLogP2.17
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 6-methyl-7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine (CID 56666218) is 6-methyl-7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 6-methyl-7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 6-methyl-7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine is Cc1cc2c(N)nc(N)nc2cc1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 6-methyl-7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine?
The InChIKey is HFWXNEFGEGPRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9-7-13-14(19-16(18)20-15(13)17)8-12(9)10-3-5-11(6-4-10)23(2,21)22/h3-8H,1-2H3,(H4,17,18,19,20).
What are the key properties of 6-methyl-7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine?
6-methyl-7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine has a molecular weight of 328.40 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 56666218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).