2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine

C16H25N3S2 — CID 103346565

IUPAC2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2nc(C3CSC(C)C(C)S3)ncc21
InChIInChI=1S/C16H25N3S2/c1-4-17-13-6-5-7-14-12(13)8-18-16(19-14)15-9-20-10(2)11(3)21-15/h8,10-11,13,15,17H,4-7,9H2,1-3H3
InChIKeyFPYRXAYZLRJMBA-UHFFFAOYSA-N
MW323.53 g/mol
LogP3.76
Rot. Bonds3

About 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine

2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 103346565) has the molecular formula C16H25N3S2 and a molecular weight of 323.53 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID103346565
Molecular FormulaC16H25N3S2
Molecular Weight323.53 g/mol
Exact Mass323.15
IUPAC Name2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2nc(C3CSC(C)C(C)S3)ncc21
InChIInChI=1S/C16H25N3S2/c1-4-17-13-6-5-7-14-12(13)8-18-16(19-14)15-9-20-10(2)11(3)21-15/h8,10-11,13,15,17H,4-7,9H2,1-3H3
InChIKeyFPYRXAYZLRJMBA-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine with MolForge

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Related Compounds

N-ethyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 65422387
2-cyclopentyl-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385325
N-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009306
N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009095
N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385247
2-(5,6-dimethyl-1,4-dithian-2-yl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384753
N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007510
2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 65414221
N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009294
2-(5-bromothiophen-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008297
N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728333
N-ethyl-2-(ethylsulfanylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385270

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 103346565) is 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine is CCNC1CCCc2nc(C3CSC(C)C(C)S3)ncc21.
What is the InChIKey of 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is FPYRXAYZLRJMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S2/c1-4-17-13-6-5-7-14-12(13)8-18-16(19-14)15-9-20-10(2)11(3)21-15/h8,10-11,13,15,17H,4-7,9H2,1-3H3.
What are the key properties of 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 323.53 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 103346565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).