N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanamine

C18H23N3S — CID 944534

IUPACN,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanamine
SMILESCN(C)CCSc1nc(-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C18H23N3S/c1-21(2)12-13-22-18-15-10-6-7-11-16(15)19-17(20-18)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKeyOIOIVQUTUSYVRX-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.68
Rot. Bonds5

About N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanamine

N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanamine (PubChem CID 944534) has the molecular formula C18H23N3S and a molecular weight of 313.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanamine
PubChem CID944534
Molecular FormulaC18H23N3S
Molecular Weight313.47 g/mol
Exact Mass313.16
IUPAC NameN,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanamine
SMILESCN(C)CCSc1nc(-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C18H23N3S/c1-21(2)12-13-22-18-15-10-6-7-11-16(15)19-17(20-18)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKeyOIOIVQUTUSYVRX-UHFFFAOYSA-N
XLogP3.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanamine (CID 944534) is N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanamine is CN(C)CCSc1nc(-c2ccccc2)nc2c1CCCC2.
What is the InChIKey of N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanamine?
The InChIKey is OIOIVQUTUSYVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3S/c1-21(2)12-13-22-18-15-10-6-7-11-16(15)19-17(20-18)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanamine?
N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanamine has a molecular weight of 313.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanamine is sourced from PubChem (CID 944534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).