N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine

C19H18N6 — CID 31921455

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(Cc1cnn(C)c1)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C19H18N6/c1-24(12-14-10-21-25(2)13-14)19-16-7-3-4-8-17(16)22-18(23-19)15-6-5-9-20-11-15/h3-11,13H,12H2,1-2H3
InChIKeyHPIIRUWBIUESCI-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.06
Rot. Bonds4

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 31921455) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID31921455
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(Cc1cnn(C)c1)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C19H18N6/c1-24(12-14-10-21-25(2)13-14)19-16-7-3-4-8-17(16)22-18(23-19)15-6-5-9-20-11-15/h3-11,13H,12H2,1-2H3
InChIKeyHPIIRUWBIUESCI-UHFFFAOYSA-N
XLogP3.06
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-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-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine (CID 31921455) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine is CN(Cc1cnn(C)c1)c1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is HPIIRUWBIUESCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-24(12-14-10-21-25(2)13-14)19-16-7-3-4-8-17(16)22-18(23-19)15-6-5-9-20-11-15/h3-11,13H,12H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 330.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 31921455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).