N-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

C15H25N3S — CID 65128118

IUPACN-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCCNC1CC(C)(C)Cc2nc(CSCC)ncc21
InChIInChI=1S/C15H25N3S/c1-5-16-12-7-15(3,4)8-13-11(12)9-17-14(18-13)10-19-6-2/h9,12,16H,5-8,10H2,1-4H3
InChIKeyNOAZXDOGMNRDFN-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.35
Rot. Bonds5

About N-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

N-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 65128118) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound NameN-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID65128118
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC NameN-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCCNC1CC(C)(C)Cc2nc(CSCC)ncc21
InChIInChI=1S/C15H25N3S/c1-5-16-12-7-15(3,4)8-13-11(12)9-17-14(18-13)10-19-6-2/h9,12,16H,5-8,10H2,1-4H3
InChIKeyNOAZXDOGMNRDFN-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of N-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 65128118) is N-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for N-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for N-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is CCNC1CC(C)(C)Cc2nc(CSCC)ncc21.
What is the InChIKey of N-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is NOAZXDOGMNRDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-5-16-12-7-15(3,4)8-13-11(12)9-17-14(18-13)10-19-6-2/h9,12,16H,5-8,10H2,1-4H3.
What are the key properties of N-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
N-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 279.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 65128118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).