5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

C15H18N4S — CID 56886463

IUPAC5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1nc2c(c(N3CCc4sccc4C3)n1)CCNCC2
InChIInChI=1S/C15H18N4S/c1-5-16-6-2-13-12(1)15(18-10-17-13)19-7-3-14-11(9-19)4-8-20-14/h4,8,10,16H,1-3,5-7,9H2
InChIKeyXVGMICLMNWYNCA-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.79
Rot. Bonds1

About 5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 56886463) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID56886463
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1nc2c(c(N3CCc4sccc4C3)n1)CCNCC2
InChIInChI=1S/C15H18N4S/c1-5-16-6-2-13-12(1)15(18-10-17-13)19-7-3-14-11(9-19)4-8-20-14/h4,8,10,16H,1-3,5-7,9H2
InChIKeyXVGMICLMNWYNCA-UHFFFAOYSA-N
XLogP1.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine 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

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
CID 24607532
4-(4-methylsulfonylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56889018
4-(4-pyridin-4-ylpiperidin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56914411
4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
CID 154583498
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinazolin-6-amine
CID 64586865
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one
CID 136993973
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80764105
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
CID 28604312
(R)-pyridin-2-yl-[1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methanol
CID 95894050
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 60711063
4-(4-cyclopentyl-1,4-diazepan-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56906138
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 28889917

Frequently Asked Questions

What is the IUPAC name of 5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 56886463) is 5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is c1nc2c(c(N3CCc4sccc4C3)n1)CCNCC2.
What is the InChIKey of 5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is XVGMICLMNWYNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-5-16-6-2-13-12(1)15(18-10-17-13)19-7-3-14-11(9-19)4-8-20-14/h4,8,10,16H,1-3,5-7,9H2.
What are the key properties of 5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 286.40 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 56886463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).