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

C12H14ClN5S — CID 80815263

IUPAC4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCc3sccc3C2C)n1
InChIInChI=1S/C12H14ClN5S/c1-7-8-4-6-19-9(8)3-5-18(7)12-16-10(13)15-11(14-2)17-12/h4,6-7H,3,5H2,1-2H3,(H,14,15,16,17)
InChIKeyUMMREUGJYVCRQJ-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.75
Rot. Bonds2

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

4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine (PubChem CID 80815263) has the molecular formula C12H14ClN5S and a molecular weight of 295.80 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine
PubChem CID80815263
Molecular FormulaC12H14ClN5S
Molecular Weight295.80 g/mol
Exact Mass295.07
IUPAC Name4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCc3sccc3C2C)n1
InChIInChI=1S/C12H14ClN5S/c1-7-8-4-6-19-9(8)3-5-18(7)12-16-10(13)15-11(14-2)17-12/h4,6-7H,3,5H2,1-2H3,(H,14,15,16,17)
InChIKeyUMMREUGJYVCRQJ-UHFFFAOYSA-N
XLogP2.75
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62857530
5-(2-chloro-6-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62482407
5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79633122
1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine
CID 62281459
5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79081457
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 80826625
N-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 104533834
N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80961424
N-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
CID 80814491
5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729494
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80788902

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 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) is 4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(N2CCc3sccc3C2C)n1.
What is the InChIKey of 4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine?
The InChIKey is UMMREUGJYVCRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5S/c1-7-8-4-6-19-9(8)3-5-18(7)12-16-10(13)15-11(14-2)17-12/h4,6-7H,3,5H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine?
4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine has a molecular weight of 295.80 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80815263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).