4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine

C16H22N6 — CID 17228617

IUPAC4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine
SMILESCCCN1CN=C(Nc2nc(C)c3cccc(C)c3n2)NC1
InChIInChI=1S/C16H22N6/c1-4-8-22-9-17-15(18-10-22)21-16-19-12(3)13-7-5-6-11(2)14(13)20-16/h5-7H,4,8-10H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyGBESFXFLJAWPQR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.24
Rot. Bonds3

About 4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine

4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine (PubChem CID 17228617) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine.

Molecular Properties

Compound Name4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine
PubChem CID17228617
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine
SMILESCCCN1CN=C(Nc2nc(C)c3cccc(C)c3n2)NC1
InChIInChI=1S/C16H22N6/c1-4-8-22-9-17-15(18-10-22)21-16-19-12(3)13-7-5-6-11(2)14(13)20-16/h5-7H,4,8-10H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyGBESFXFLJAWPQR-UHFFFAOYSA-N
XLogP2.24
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine?
The IUPAC name of 4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine (CID 17228617) is 4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine.
What is the SMILES notation for 4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine?
The canonical SMILES for 4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine is CCCN1CN=C(Nc2nc(C)c3cccc(C)c3n2)NC1.
What is the InChIKey of 4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine?
The InChIKey is GBESFXFLJAWPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-4-8-22-9-17-15(18-10-22)21-16-19-12(3)13-7-5-6-11(2)14(13)20-16/h5-7H,4,8-10H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine?
4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine is sourced from PubChem (CID 17228617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).