N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine

C19H26N6 — CID 663799

IUPACN-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine
SMILESCc1ccc2nc(NC3=NCN(C4CCCCC4)CN3)nc(C)c2c1
InChIInChI=1S/C19H26N6/c1-13-8-9-17-16(10-13)14(2)22-19(23-17)24-18-20-11-25(12-21-18)15-6-4-3-5-7-15/h8-10,15H,3-7,11-12H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyKWYLSRBLRNYHDL-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.17
Rot. Bonds2

About N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine

N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine (PubChem CID 663799) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine
PubChem CID663799
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC NameN-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine
SMILESCc1ccc2nc(NC3=NCN(C4CCCCC4)CN3)nc(C)c2c1
InChIInChI=1S/C19H26N6/c1-13-8-9-17-16(10-13)14(2)22-19(23-17)24-18-20-11-25(12-21-18)15-6-4-3-5-7-15/h8-10,15H,3-7,11-12H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyKWYLSRBLRNYHDL-UHFFFAOYSA-N
XLogP3.17
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine?
The IUPAC name of N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine (CID 663799) is N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine.
What is the SMILES notation for N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine?
The canonical SMILES for N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine is Cc1ccc2nc(NC3=NCN(C4CCCCC4)CN3)nc(C)c2c1.
What is the InChIKey of N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine?
The InChIKey is KWYLSRBLRNYHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-13-8-9-17-16(10-13)14(2)22-19(23-17)24-18-20-11-25(12-21-18)15-6-4-3-5-7-15/h8-10,15H,3-7,11-12H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine?
N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine has a molecular weight of 338.46 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine is sourced from PubChem (CID 663799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).