1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine

C14H20N4S — CID 103976599

IUPAC1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
SMILESCc1sc2ncnc(N3CCC(C(C)N)C3)c2c1C
InChIInChI=1S/C14H20N4S/c1-8-10(3)19-14-12(8)13(16-7-17-14)18-5-4-11(6-18)9(2)15/h7,9,11H,4-6,15H2,1-3H3
InChIKeyRNDRKHWSCTVRNF-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.48
Rot. Bonds2

About 1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine

1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine (PubChem CID 103976599) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
PubChem CID103976599
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
SMILESCc1sc2ncnc(N3CCC(C(C)N)C3)c2c1C
InChIInChI=1S/C14H20N4S/c1-8-10(3)19-14-12(8)13(16-7-17-14)18-5-4-11(6-18)9(2)15/h7,9,11H,4-6,15H2,1-3H3
InChIKeyRNDRKHWSCTVRNF-UHFFFAOYSA-N
XLogP2.48
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 62067433
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2973940
4-(3-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80672734
4-[4-(bromomethyl)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80670146
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carbothioamide
CID 79680495
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 9279863
(3S,4S)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol
CID 50955338
2-(bromomethyl)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 81210775
N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 41332420
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide
CID 22110109
1-[1-(3-methylpyrazin-2-yl)pyrrolidin-3-yl]ethanamine
CID 103976639

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine (CID 103976599) is 1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine is Cc1sc2ncnc(N3CCC(C(C)N)C3)c2c1C.
What is the InChIKey of 1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine?
The InChIKey is RNDRKHWSCTVRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-8-10(3)19-14-12(8)13(16-7-17-14)18-5-4-11(6-18)9(2)15/h7,9,11H,4-6,15H2,1-3H3.
What are the key properties of 1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine?
1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine has a molecular weight of 276.41 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103976599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).