N-ethyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

C17H21N3S — CID 65143447

IUPACN-ethyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2nc(CSc3ccccc3)ncc21
InChIInChI=1S/C17H21N3S/c1-2-18-15-9-6-10-16-14(15)11-19-17(20-16)12-21-13-7-4-3-5-8-13/h3-5,7-8,11,15,18H,2,6,9-10,12H2,1H3
InChIKeyZFVUXFDLLJLMAQ-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.76
Rot. Bonds5

About N-ethyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

N-ethyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 65143447) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-ethyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound NameN-ethyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID65143447
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-ethyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2nc(CSc3ccccc3)ncc21
InChIInChI=1S/C17H21N3S/c1-2-18-15-9-6-10-16-14(15)11-19-17(20-16)12-21-13-7-4-3-5-8-13/h3-5,7-8,11,15,18H,2,6,9-10,12H2,1H3
InChIKeyZFVUXFDLLJLMAQ-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of N-ethyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 65143447) is N-ethyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for N-ethyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for N-ethyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is CCNC1CCCc2nc(CSc3ccccc3)ncc21.
What is the InChIKey of N-ethyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is ZFVUXFDLLJLMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-2-18-15-9-6-10-16-14(15)11-19-17(20-16)12-21-13-7-4-3-5-8-13/h3-5,7-8,11,15,18H,2,6,9-10,12H2,1H3.
What are the key properties of N-ethyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
N-ethyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 299.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 65143447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).