6-methyl-N-[4-(3-methylsulfonylazetidin-1-yl)cyclohexyl]quinazolin-4-amine

C19H26N4O2S — CID 121255045

IUPAC6-methyl-N-[4-(3-methylsulfonylazetidin-1-yl)cyclohexyl]quinazolin-4-amine
SMILESCc1ccc2ncnc(NC3CCC(N4CC(S(C)(=O)=O)C4)CC3)c2c1
InChIInChI=1S/C19H26N4O2S/c1-13-3-8-18-17(9-13)19(21-12-20-18)22-14-4-6-15(7-5-14)23-10-16(11-23)26(2,24)25/h3,8-9,12,14-16H,4-7,10-11H2,1-2H3,(H,20,21,22)
InChIKeyOEVWBLYSJKFBNL-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.39
Rot. Bonds4

About 6-methyl-N-[4-(3-methylsulfonylazetidin-1-yl)cyclohexyl]quinazolin-4-amine

6-methyl-N-[4-(3-methylsulfonylazetidin-1-yl)cyclohexyl]quinazolin-4-amine (PubChem CID 121255045) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 6-methyl-N-[4-(3-methylsulfonylazetidin-1-yl)cyclohexyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[4-(3-methylsulfonylazetidin-1-yl)cyclohexyl]quinazolin-4-amine
PubChem CID121255045
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name6-methyl-N-[4-(3-methylsulfonylazetidin-1-yl)cyclohexyl]quinazolin-4-amine
SMILESCc1ccc2ncnc(NC3CCC(N4CC(S(C)(=O)=O)C4)CC3)c2c1
InChIInChI=1S/C19H26N4O2S/c1-13-3-8-18-17(9-13)19(21-12-20-18)22-14-4-6-15(7-5-14)23-10-16(11-23)26(2,24)25/h3,8-9,12,14-16H,4-7,10-11H2,1-2H3,(H,20,21,22)
InChIKeyOEVWBLYSJKFBNL-UHFFFAOYSA-N
XLogP2.39
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(3-methylsulfonylazetidin-1-yl)cyclohexyl]quinazolin-4-amine?
The IUPAC name of 6-methyl-N-[4-(3-methylsulfonylazetidin-1-yl)cyclohexyl]quinazolin-4-amine (CID 121255045) is 6-methyl-N-[4-(3-methylsulfonylazetidin-1-yl)cyclohexyl]quinazolin-4-amine.
What is the SMILES notation for 6-methyl-N-[4-(3-methylsulfonylazetidin-1-yl)cyclohexyl]quinazolin-4-amine?
The canonical SMILES for 6-methyl-N-[4-(3-methylsulfonylazetidin-1-yl)cyclohexyl]quinazolin-4-amine is Cc1ccc2ncnc(NC3CCC(N4CC(S(C)(=O)=O)C4)CC3)c2c1.
What is the InChIKey of 6-methyl-N-[4-(3-methylsulfonylazetidin-1-yl)cyclohexyl]quinazolin-4-amine?
The InChIKey is OEVWBLYSJKFBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-13-3-8-18-17(9-13)19(21-12-20-18)22-14-4-6-15(7-5-14)23-10-16(11-23)26(2,24)25/h3,8-9,12,14-16H,4-7,10-11H2,1-2H3,(H,20,21,22).
What are the key properties of 6-methyl-N-[4-(3-methylsulfonylazetidin-1-yl)cyclohexyl]quinazolin-4-amine?
6-methyl-N-[4-(3-methylsulfonylazetidin-1-yl)cyclohexyl]quinazolin-4-amine has a molecular weight of 374.51 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(3-methylsulfonylazetidin-1-yl)cyclohexyl]quinazolin-4-amine is sourced from PubChem (CID 121255045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).