4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde

C14H14ClN3OS — CID 80732572

IUPAC4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(N2CCc3sccc3C2C)n1
InChIInChI=1S/C14H14ClN3OS/c1-8-10-4-6-20-12(10)3-5-18(8)14-11(7-19)13(15)16-9(2)17-14/h4,6-8H,3,5H2,1-2H3
InChIKeyHQZBWEQMLWLRIV-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.44
Rot. Bonds2

About 4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde

4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde (PubChem CID 80732572) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde
PubChem CID80732572
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(N2CCc3sccc3C2C)n1
InChIInChI=1S/C14H14ClN3OS/c1-8-10-4-6-20-12(10)3-5-18(8)14-11(7-19)13(15)16-9(2)17-14/h4,6-8H,3,5H2,1-2H3
InChIKeyHQZBWEQMLWLRIV-UHFFFAOYSA-N
XLogP3.44
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde (CID 80732572) is 4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(N2CCc3sccc3C2C)n1.
What is the InChIKey of 4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde?
The InChIKey is HQZBWEQMLWLRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c1-8-10-4-6-20-12(10)3-5-18(8)14-11(7-19)13(15)16-9(2)17-14/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde?
4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde has a molecular weight of 307.81 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 80732572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).