N-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

C13H17N5 — CID 65197983

IUPACN-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCNC1CCCc2nc(-c3ccn(C)n3)ncc21
InChIInChI=1S/C13H17N5/c1-14-10-4-3-5-11-9(10)8-15-13(16-11)12-6-7-18(2)17-12/h6-8,10,14H,3-5H2,1-2H3
InChIKeyMIRURYIFIDVDKJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.47
Rot. Bonds2

About N-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

N-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 65197983) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID65197983
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCNC1CCCc2nc(-c3ccn(C)n3)ncc21
InChIInChI=1S/C13H17N5/c1-14-10-4-3-5-11-9(10)8-15-13(16-11)12-6-7-18(2)17-12/h6-8,10,14H,3-5H2,1-2H3
InChIKeyMIRURYIFIDVDKJ-UHFFFAOYSA-N
XLogP1.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-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-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of N-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 65197983) is N-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for N-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for N-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine is CNC1CCCc2nc(-c3ccn(C)n3)ncc21.
What is the InChIKey of N-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is MIRURYIFIDVDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-14-10-4-3-5-11-9(10)8-15-13(16-11)12-6-7-18(2)17-12/h6-8,10,14H,3-5H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
N-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 243.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 65197983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).