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

C15H20N4S — CID 80815193

IUPACN-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
SMILESCCNc1ncc(C)c(N2CCc3sccc3C2C)n1
InChIInChI=1S/C15H20N4S/c1-4-16-15-17-9-10(2)14(18-15)19-7-5-13-12(11(19)3)6-8-20-13/h6,8-9,11H,4-5,7H2,1-3H3,(H,16,17,18)
InChIKeyYDNKRLLZVZVFAH-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.40
Rot. Bonds3

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

N-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine (PubChem CID 80815193) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
PubChem CID80815193
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC NameN-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
SMILESCCNc1ncc(C)c(N2CCc3sccc3C2C)n1
InChIInChI=1S/C15H20N4S/c1-4-16-15-17-9-10(2)14(18-15)19-7-5-13-12(11(19)3)6-8-20-13/h6,8-9,11H,4-5,7H2,1-3H3,(H,16,17,18)
InChIKeyYDNKRLLZVZVFAH-UHFFFAOYSA-N
XLogP3.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
CID 80814491
5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79633122
5-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-4-amine
CID 83265918
3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoxalin-2-amine
CID 102985686
5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79081457
[1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
CID 102789926
N-[[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62767515
5-(6-chloro-5-propylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729322
5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729494
5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729324
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
6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propylpyrazin-2-amine
CID 80814490

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine (CID 80815193) is N-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine is CCNc1ncc(C)c(N2CCc3sccc3C2C)n1.
What is the InChIKey of N-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine?
The InChIKey is YDNKRLLZVZVFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-4-16-15-17-9-10(2)14(18-15)19-7-5-13-12(11(19)3)6-8-20-13/h6,8-9,11H,4-5,7H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine?
N-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine has a molecular weight of 288.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 80815193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).