7-(5,6-dimethyl-2-morpholin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine

C21H23N7O — CID 67607544

IUPAC7-(5,6-dimethyl-2-morpholin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
SMILESCc1cc2nc(N3CCOCC3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C
InChIInChI=1S/C21H23N7O/c1-12-9-17-18(10-13(12)2)28(21(25-17)27-5-7-29-8-6-27)14-3-4-15-16(11-14)24-20(23)26-19(15)22/h3-4,9-11H,5-8H2,1-2H3,(H4,22,23,24,26)
InChIKeyUXCJAAPGWFJWPY-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.59
Rot. Bonds2

About 7-(5,6-dimethyl-2-morpholin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine

7-(5,6-dimethyl-2-morpholin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine (PubChem CID 67607544) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 7-(5,6-dimethyl-2-morpholin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(5,6-dimethyl-2-morpholin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
PubChem CID67607544
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name7-(5,6-dimethyl-2-morpholin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
SMILESCc1cc2nc(N3CCOCC3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C
InChIInChI=1S/C21H23N7O/c1-12-9-17-18(10-13(12)2)28(21(25-17)27-5-7-29-8-6-27)14-3-4-15-16(11-14)24-20(23)26-19(15)22/h3-4,9-11H,5-8H2,1-2H3,(H4,22,23,24,26)
InChIKeyUXCJAAPGWFJWPY-UHFFFAOYSA-N
XLogP2.59
TPSA108.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Resiquimod
CID 159603
6-ethyl-5-[9-(3-methoxypropyl)-9H-carbazol-2-yl]pyrimidine-2,4-diamine
CID 6914626
B 220
CID 130705
5H-Pyrrolo(3,2-d)pyrimidine, 2-methyl-4-(4-morpholinyl)-6-phenyl-
CID 3087469
1-(4-Amino-2-Butyl-1h-Imidazo[4,5-C]quinolin-1-Yl)-2-Methylpropan-2-Ol
CID 21470208
(2~{s})-1-(3,4-Dihydro-1~{h}-Isoquinolin-2-Yl)-3-[[4-(3-Methylbenzimidazol-5-Yl)pyridin-2-Yl]amino]propan-2-Ol
CID 90335209
7-(5,6-Dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 56595784
7-(2-Cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 67607115
6-(2-Dimethylaminoethyl)-6H-indolo(2,3-b)-quinoxaline
CID 135746
Methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate
CID 795706
3H-Imidazo(4,5-h)isoquinolin-2-amine, 3-methyl-
CID 154632
Benzimidazole deriv. 6
CID 5329406

Frequently Asked Questions

What is the IUPAC name of 7-(5,6-dimethyl-2-morpholin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine?
The IUPAC name of 7-(5,6-dimethyl-2-morpholin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine (CID 67607544) is 7-(5,6-dimethyl-2-morpholin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 7-(5,6-dimethyl-2-morpholin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine?
The canonical SMILES for 7-(5,6-dimethyl-2-morpholin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine is Cc1cc2nc(N3CCOCC3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C.
What is the InChIKey of 7-(5,6-dimethyl-2-morpholin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine?
The InChIKey is UXCJAAPGWFJWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-12-9-17-18(10-13(12)2)28(21(25-17)27-5-7-29-8-6-27)14-3-4-15-16(11-14)24-20(23)26-19(15)22/h3-4,9-11H,5-8H2,1-2H3,(H4,22,23,24,26).
What are the key properties of 7-(5,6-dimethyl-2-morpholin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine?
7-(5,6-dimethyl-2-morpholin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine has a molecular weight of 389.46 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5,6-dimethyl-2-morpholin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 67607544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).