6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine

C14H21N5S — CID 70536211

IUPAC6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1sc2nc(N3CCNCC3)nc(NC)c2c1C
InChIInChI=1S/C14H21N5S/c1-4-10-9(2)11-12(15-3)17-14(18-13(11)20-10)19-7-5-16-6-8-19/h16H,4-8H2,1-3H3,(H,15,17,18)
InChIKeyHMSYXXCKTJQSBU-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.01
Rot. Bonds3

About 6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine

6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 70536211) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID70536211
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1sc2nc(N3CCNCC3)nc(NC)c2c1C
InChIInChI=1S/C14H21N5S/c1-4-10-9(2)11-12(15-3)17-14(18-13(11)20-10)19-7-5-16-6-8-19/h16H,4-8H2,1-3H3,(H,15,17,18)
InChIKeyHMSYXXCKTJQSBU-UHFFFAOYSA-N
XLogP2.01
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine (CID 70536211) is 6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine is CCc1sc2nc(N3CCNCC3)nc(NC)c2c1C.
What is the InChIKey of 6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HMSYXXCKTJQSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-4-10-9(2)11-12(15-3)17-14(18-13(11)20-10)19-7-5-16-6-8-19/h16H,4-8H2,1-3H3,(H,15,17,18).
What are the key properties of 6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 291.42 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 70536211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).