N,2-dimethyl-N-(4-methylsulfanylphenyl)quinazolin-4-amine

C17H17N3S — CID 11580217

IUPACN,2-dimethyl-N-(4-methylsulfanylphenyl)quinazolin-4-amine
SMILESCSc1ccc(N(C)c2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C17H17N3S/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13/h4-11H,1-3H3
InChIKeyDUEOFWOYVUMCKC-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.43
Rot. Bonds3

About N,2-dimethyl-N-(4-methylsulfanylphenyl)quinazolin-4-amine

N,2-dimethyl-N-(4-methylsulfanylphenyl)quinazolin-4-amine (PubChem CID 11580217) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-methylsulfanylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-methylsulfanylphenyl)quinazolin-4-amine
PubChem CID11580217
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC NameN,2-dimethyl-N-(4-methylsulfanylphenyl)quinazolin-4-amine
SMILESCSc1ccc(N(C)c2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C17H17N3S/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13/h4-11H,1-3H3
InChIKeyDUEOFWOYVUMCKC-UHFFFAOYSA-N
XLogP4.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 780643
CID 780643
CID 3537
CID 3537
CID 446244
CID 446244
CID 446245
CID 446245
CID 698960
CID 698960
CID 454717
CID 454717
CID 100475
CID 100475
CID 2573787
CID 2573787
CID 719252
CID 719252
CID 780644
CID 780644
CID 719693
CID 719693
CID 2475524
CID 2475524

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-methylsulfanylphenyl)quinazolin-4-amine?
The IUPAC name of N,2-dimethyl-N-(4-methylsulfanylphenyl)quinazolin-4-amine (CID 11580217) is N,2-dimethyl-N-(4-methylsulfanylphenyl)quinazolin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(4-methylsulfanylphenyl)quinazolin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(4-methylsulfanylphenyl)quinazolin-4-amine is CSc1ccc(N(C)c2nc(C)nc3ccccc23)cc1.
What is the InChIKey of N,2-dimethyl-N-(4-methylsulfanylphenyl)quinazolin-4-amine?
The InChIKey is DUEOFWOYVUMCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13/h4-11H,1-3H3.
What are the key properties of N,2-dimethyl-N-(4-methylsulfanylphenyl)quinazolin-4-amine?
N,2-dimethyl-N-(4-methylsulfanylphenyl)quinazolin-4-amine has a molecular weight of 295.41 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-methylsulfanylphenyl)quinazolin-4-amine is sourced from PubChem (CID 11580217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).