N-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C16H21N3S — CID 63480179

IUPACN-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(C)s2)nc2c1CCCCC2
InChIInChI=1S/C16H21N3S/c1-3-17-15-12-7-5-4-6-8-13(12)18-16(19-15)14-10-9-11(2)20-14/h9-10H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyQMDFBTYHXUIEIX-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.21
Rot. Bonds3

About N-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

N-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 63480179) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID63480179
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(C)s2)nc2c1CCCCC2
InChIInChI=1S/C16H21N3S/c1-3-17-15-12-7-5-4-6-8-13(12)18-16(19-15)14-10-9-11(2)20-14/h9-10H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyQMDFBTYHXUIEIX-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 62250929
2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63480001
N-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 62202443
N-ethyl-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351510
2-(2,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63480845
N-ethyl-2-(5-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 81312553
2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66479077
N-ethyl-2-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63485255
2-(5-bromothiophen-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62202786
2-(2,5-dimethylphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62203197
N-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351468
2-(3-chlorophenyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486503

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 63480179) is N-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CCNc1nc(-c2ccc(C)s2)nc2c1CCCCC2.
What is the InChIKey of N-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is QMDFBTYHXUIEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-3-17-15-12-7-5-4-6-8-13(12)18-16(19-15)14-10-9-11(2)20-14/h9-10H,3-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
N-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 287.43 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 63480179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).