(2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile

C18H17N5 — CID 94181210

IUPAC(2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile
SMILESC[C@@H](C#N)CN(C)c1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C18H17N5/c1-13(11-19)12-23(2)18-15-5-3-4-6-16(15)21-17(22-18)14-7-9-20-10-8-14/h3-10,13H,12H2,1-2H3/t13-/m0/s1
InChIKeyQJVSOPCKDLVPKN-ZDUSSCGKSA-N
MW303.37 g/mol
LogP3.29
Rot. Bonds4

About (2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile

(2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile (PubChem CID 94181210) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile.

Molecular Properties

Compound Name(2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile
PubChem CID94181210
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name(2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile
SMILESC[C@@H](C#N)CN(C)c1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C18H17N5/c1-13(11-19)12-23(2)18-15-5-3-4-6-16(15)21-17(22-18)14-7-9-20-10-8-14/h3-10,13H,12H2,1-2H3/t13-/m0/s1
InChIKeyQJVSOPCKDLVPKN-ZDUSSCGKSA-N
XLogP3.29
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile 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 (2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile?
The IUPAC name of (2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile (CID 94181210) is (2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile.
What is the SMILES notation for (2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile?
The canonical SMILES for (2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile is C[C@@H](C#N)CN(C)c1nc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of (2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile?
The InChIKey is QJVSOPCKDLVPKN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17N5/c1-13(11-19)12-23(2)18-15-5-3-4-6-16(15)21-17(22-18)14-7-9-20-10-8-14/h3-10,13H,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile?
(2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile has a molecular weight of 303.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile is sourced from PubChem (CID 94181210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).