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

C17H24N6 — CID 17121800

IUPACN-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine
SMILESCCCCN1CN=C(Nc2nc(C)c3cc(C)ccc3n2)NC1
InChIInChI=1S/C17H24N6/c1-4-5-8-23-10-18-16(19-11-23)22-17-20-13(3)14-9-12(2)6-7-15(14)21-17/h6-7,9H,4-5,8,10-11H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyDJFLKYKOSRPQBO-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.63
Rot. Bonds4

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

N-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine (PubChem CID 17121800) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine.

Molecular Properties

Compound NameN-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine
PubChem CID17121800
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC NameN-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine
SMILESCCCCN1CN=C(Nc2nc(C)c3cc(C)ccc3n2)NC1
InChIInChI=1S/C17H24N6/c1-4-5-8-23-10-18-16(19-11-23)22-17-20-13(3)14-9-12(2)6-7-15(14)21-17/h6-7,9H,4-5,8,10-11H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyDJFLKYKOSRPQBO-UHFFFAOYSA-N
XLogP2.63
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine?
The IUPAC name of N-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine (CID 17121800) is N-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine.
What is the SMILES notation for N-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine?
The canonical SMILES for N-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine is CCCCN1CN=C(Nc2nc(C)c3cc(C)ccc3n2)NC1.
What is the InChIKey of N-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine?
The InChIKey is DJFLKYKOSRPQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-4-5-8-23-10-18-16(19-11-23)22-17-20-13(3)14-9-12(2)6-7-15(14)21-17/h6-7,9H,4-5,8,10-11H2,1-3H3,(H2,18,19,20,21,22).
What are the key properties of N-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine?
N-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6-dimethylquinazolin-2-amine is sourced from PubChem (CID 17121800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).