2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine

C13H17N3S — CID 50946840

IUPAC2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
SMILESCCc1nc(N2CCCC2)c2cc(C)sc2n1
InChIInChI=1S/C13H17N3S/c1-3-11-14-12(16-6-4-5-7-16)10-8-9(2)17-13(10)15-11/h8H,3-7H2,1-2H3
InChIKeyJEFAEYQUBLOOJN-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.16
Rot. Bonds2

About 2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine

2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 50946840) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
PubChem CID50946840
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
SMILESCCc1nc(N2CCCC2)c2cc(C)sc2n1
InChIInChI=1S/C13H17N3S/c1-3-11-14-12(16-6-4-5-7-16)10-8-9(2)17-13(10)15-11/h8H,3-7H2,1-2H3
InChIKeyJEFAEYQUBLOOJN-UHFFFAOYSA-N
XLogP3.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-2-benzyl-6-methylthieno[2,3-d]pyrimidine
CID 91965066
4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103323872
4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 130547955
6-ethyl-2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 6458221
2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91965038
2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 91964847
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
N-ethyl-6-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327476
4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine
CID 50947714
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321928
6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327825

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine (CID 50946840) is 2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine is CCc1nc(N2CCCC2)c2cc(C)sc2n1.
What is the InChIKey of 2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is JEFAEYQUBLOOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-11-14-12(16-6-4-5-7-16)10-8-9(2)17-13(10)15-11/h8H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine?
2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 247.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 50946840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).