N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine

C19H20N4O2S — CID 133344251

IUPACN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCS(=O)(=O)CC1(CNc2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C19H20N4O2S/c1-26(24,25)13-19(8-9-19)12-21-18-15-6-2-3-7-16(15)22-17(23-18)14-5-4-10-20-11-14/h2-7,10-11H,8-9,12-13H2,1H3,(H,21,22,23)
InChIKeyNCZLOSSLCJVVOK-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.93
Rot. Bonds6

About N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine

N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 133344251) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID133344251
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCS(=O)(=O)CC1(CNc2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C19H20N4O2S/c1-26(24,25)13-19(8-9-19)12-21-18-15-6-2-3-7-16(15)22-17(23-18)14-5-4-10-20-11-14/h2-7,10-11H,8-9,12-13H2,1H3,(H,21,22,23)
InChIKeyNCZLOSSLCJVVOK-UHFFFAOYSA-N
XLogP2.93
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(methylsulfonylmethyl)cyclopropyl]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

Related Compounds

N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine
CID 133344209
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzenesulfonamide;dihydrochloride
CID 19392360
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine
CID 75385744
N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133344239
N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine
CID 166215085

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine (CID 133344251) is N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine is CS(=O)(=O)CC1(CNc2nc(-c3cccnc3)nc3ccccc23)CC1.
What is the InChIKey of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is NCZLOSSLCJVVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-26(24,25)13-19(8-9-19)12-21-18-15-6-2-3-7-16(15)22-17(23-18)14-5-4-10-20-11-14/h2-7,10-11H,8-9,12-13H2,1H3,(H,21,22,23).
What are the key properties of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 368.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 133344251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).