4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine

C14H18ClN5S — CID 80789244

IUPAC4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(N2CCc3sccc3C2C)n1
InChIInChI=1S/C14H18ClN5S/c1-3-6-16-13-17-12(15)18-14(19-13)20-7-4-11-10(9(20)2)5-8-21-11/h5,8-9H,3-4,6-7H2,1-2H3,(H,16,17,18,19)
InChIKeyFHUDNAAGCFRCAI-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.53
Rot. Bonds4

About 4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80789244) has the molecular formula C14H18ClN5S and a molecular weight of 323.85 g/mol. Its IUPAC name is 4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine
PubChem CID80789244
Molecular FormulaC14H18ClN5S
Molecular Weight323.85 g/mol
Exact Mass323.10
IUPAC Name4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(N2CCc3sccc3C2C)n1
InChIInChI=1S/C14H18ClN5S/c1-3-6-16-13-17-12(15)18-14(19-13)20-7-4-11-10(9(20)2)5-8-21-11/h5,8-9H,3-4,6-7H2,1-2H3,(H,16,17,18,19)
InChIKeyFHUDNAAGCFRCAI-UHFFFAOYSA-N
XLogP3.53
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine
CID 80815263
5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62857530
6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propylpyrazin-2-amine
CID 80814490
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80827346
5-(2-chloro-6-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62482407
4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80821649
N-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
CID 80814491
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80797987
4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione
CID 80850816
5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79633122
N-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
CID 80815193
5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79081457

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine (CID 80789244) is 4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(N2CCc3sccc3C2C)n1.
What is the InChIKey of 4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is FHUDNAAGCFRCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5S/c1-3-6-16-13-17-12(15)18-14(19-13)20-7-4-11-10(9(20)2)5-8-21-11/h5,8-9H,3-4,6-7H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 323.85 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80789244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).