6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine

C13H12ClN7O2 — CID 10404612

IUPAC6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc2ncnc(Nc3nc(N)nc(Cl)n3)c2cc1OC
InChIInChI=1S/C13H12ClN7O2/c1-22-8-3-6-7(4-9(8)23-2)16-5-17-10(6)18-13-20-11(14)19-12(15)21-13/h3-5H,1-2H3,(H3,15,16,17,18,19,20,21)
InChIKeyZNWWRKHBEMVONI-UHFFFAOYSA-N
MW333.74 g/mol
LogP1.81
Rot. Bonds4

About 6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 10404612) has the molecular formula C13H12ClN7O2 and a molecular weight of 333.74 g/mol. Its IUPAC name is 6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID10404612
Molecular FormulaC13H12ClN7O2
Molecular Weight333.74 g/mol
Exact Mass333.07
IUPAC Name6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc2ncnc(Nc3nc(N)nc(Cl)n3)c2cc1OC
InChIInChI=1S/C13H12ClN7O2/c1-22-8-3-6-7(4-9(8)23-2)16-5-17-10(6)18-13-20-11(14)19-12(15)21-13/h3-5H,1-2H3,(H3,15,16,17,18,19,20,21)
InChIKeyZNWWRKHBEMVONI-UHFFFAOYSA-N
XLogP1.81
TPSA120.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine
CID 164897040
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628510
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine
CID 68596713
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167
N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628743
1-[4-[[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]amino]phenyl]ethanone;ethane
CID 142929534

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine (CID 10404612) is 6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine is COc1cc2ncnc(Nc3nc(N)nc(Cl)n3)c2cc1OC.
What is the InChIKey of 6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZNWWRKHBEMVONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN7O2/c1-22-8-3-6-7(4-9(8)23-2)16-5-17-10(6)18-13-20-11(14)19-12(15)21-13/h3-5H,1-2H3,(H3,15,16,17,18,19,20,21).
What are the key properties of 6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 333.74 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10404612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).