5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine

C18H19N5OS — CID 3534

IUPAC5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Sc3ccc(N4CCOCC4)cc3)cccc2n1
InChIInChI=1S/C18H19N5OS/c19-17-16-14(21-18(20)22-17)2-1-3-15(16)25-13-6-4-12(5-7-13)23-8-10-24-11-9-23/h1-7H,8-11H2,(H4,19,20,21,22)
InChIKeyCZLWCJRHDBTCGQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.78
Rot. Bonds3

About 5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine

5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine (PubChem CID 3534) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine.

Molecular Properties

Compound Name5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine
PubChem CID3534
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Sc3ccc(N4CCOCC4)cc3)cccc2n1
InChIInChI=1S/C18H19N5OS/c19-17-16-14(21-18(20)22-17)2-1-3-15(16)25-13-6-4-12(5-7-13)23-8-10-24-11-9-23/h1-7H,8-11H2,(H4,19,20,21,22)
InChIKeyCZLWCJRHDBTCGQ-UHFFFAOYSA-N
XLogP2.78
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-Phenylsulfanyl-2,4-Quinazolinediamine
CID 446244
5-(4-Methylphenyl)sulfanylquinazoline-2,4-diamine
CID 446245
4-(4-Morpholinyl)-2-phenylquinazoline
CID 675225
Diethyl-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 6457762
4-Quinazolinamine, 2-(4-morpholinyl)-
CID 660065
(4-Morpholin-4-yl-phenyl)-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 1091839
N-(2-(4-Morpholinyl)ethyl)-2-phenyl-4-quinazolinamine
CID 675240
5-(4-Isopropylphenylthio)quinazoline-2,4-diamine
CID 462582
5-(4-Hexylphenyl)sulfanylquinazoline-2,4-diamine
CID 462584
5-(4-Cyclohexylphenyl)sulfanylquinazoline-2,4-diamine
CID 462585
5-[4-(Diethylamino)phenyl]sulfanylquinazoline-2,4-diamine
CID 462587
5-(4-Fluorophenyl)sulfanylquinazoline-2,4-diamine
CID 462591

Frequently Asked Questions

What is the IUPAC name of 5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine?
The IUPAC name of 5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine (CID 3534) is 5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine.
What is the SMILES notation for 5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine?
The canonical SMILES for 5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine is Nc1nc(N)c2c(Sc3ccc(N4CCOCC4)cc3)cccc2n1.
What is the InChIKey of 5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine?
The InChIKey is CZLWCJRHDBTCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c19-17-16-14(21-18(20)22-17)2-1-3-15(16)25-13-6-4-12(5-7-13)23-8-10-24-11-9-23/h1-7H,8-11H2,(H4,19,20,21,22).
What are the key properties of 5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine?
5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine has a molecular weight of 353.45 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine is sourced from PubChem (CID 3534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).