6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine

C20H16ClN5 — CID 3234019

IUPAC6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCc1cnc(CNc2ncnc3ccc(-c4ccccc4Cl)cc23)cn1
InChIInChI=1S/C20H16ClN5/c1-13-9-23-15(10-22-13)11-24-20-17-8-14(6-7-19(17)25-12-26-20)16-4-2-3-5-18(16)21/h2-10,12H,11H2,1H3,(H,24,25,26)
InChIKeyJGTHNIVRFFDTOL-UHFFFAOYSA-N
MW361.84 g/mol
LogP4.66
Rot. Bonds4

About 6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine

6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (PubChem CID 3234019) has the molecular formula C20H16ClN5 and a molecular weight of 361.84 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
PubChem CID3234019
Molecular FormulaC20H16ClN5
Molecular Weight361.84 g/mol
Exact Mass361.11
IUPAC Name6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCc1cnc(CNc2ncnc3ccc(-c4ccccc4Cl)cc23)cn1
InChIInChI=1S/C20H16ClN5/c1-13-9-23-15(10-22-13)11-24-20-17-8-14(6-7-19(17)25-12-26-20)16-4-2-3-5-18(16)21/h2-10,12H,11H2,1H3,(H,24,25,26)
InChIKeyJGTHNIVRFFDTOL-UHFFFAOYSA-N
XLogP4.66
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-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-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
SD-208
CID 10316032
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
B-Raf inhibitor 1
CID 44223999
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
4-Anilino quinazoline deriv. 18
CID 5328017
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069
Baquiloprim
CID 9861430
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (CID 3234019) is 6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is Cc1cnc(CNc2ncnc3ccc(-c4ccccc4Cl)cc23)cn1.
What is the InChIKey of 6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The InChIKey is JGTHNIVRFFDTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5/c1-13-9-23-15(10-22-13)11-24-20-17-8-14(6-7-19(17)25-12-26-20)16-4-2-3-5-18(16)21/h2-10,12H,11H2,1H3,(H,24,25,26).
What are the key properties of 6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine has a molecular weight of 361.84 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3234019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).