N-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine

C18H20N6O — CID 944281

IUPACN-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine
SMILESCc1ccc2nc(NC3=NCN(Cc4ccco4)CN3)nc(C)c2c1
InChIInChI=1S/C18H20N6O/c1-12-5-6-16-15(8-12)13(2)21-18(22-16)23-17-19-10-24(11-20-17)9-14-4-3-7-25-14/h3-8H,9-11H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyWLWHWNDBXRUJDF-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.63
Rot. Bonds3

About N-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine

N-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine (PubChem CID 944281) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine
PubChem CID944281
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine
SMILESCc1ccc2nc(NC3=NCN(Cc4ccco4)CN3)nc(C)c2c1
InChIInChI=1S/C18H20N6O/c1-12-5-6-16-15(8-12)13(2)21-18(22-16)23-17-19-10-24(11-20-17)9-14-4-3-7-25-14/h3-8H,9-11H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyWLWHWNDBXRUJDF-UHFFFAOYSA-N
XLogP2.63
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine?
The IUPAC name of N-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine (CID 944281) is N-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine.
What is the SMILES notation for N-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine?
The canonical SMILES for N-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine is Cc1ccc2nc(NC3=NCN(Cc4ccco4)CN3)nc(C)c2c1.
What is the InChIKey of N-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine?
The InChIKey is WLWHWNDBXRUJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-5-6-16-15(8-12)13(2)21-18(22-16)23-17-19-10-24(11-20-17)9-14-4-3-7-25-14/h3-8H,9-11H2,1-2H3,(H2,19,20,21,22,23).
What are the key properties of N-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine?
N-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine has a molecular weight of 336.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6-dimethylquinazolin-2-amine is sourced from PubChem (CID 944281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).