6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C15H22N4S — CID 79720015

IUPAC6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)CC3CCNCC3)ncnc2s1
InChIInChI=1S/C15H22N4S/c1-3-12-8-13-14(17-10-18-15(13)20-12)19(2)9-11-4-6-16-7-5-11/h8,10-11,16H,3-7,9H2,1-2H3
InChIKeyPSEUVLUBKWJVBV-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.69
Rot. Bonds4

About 6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 79720015) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID79720015
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)CC3CCNCC3)ncnc2s1
InChIInChI=1S/C15H22N4S/c1-3-12-8-13-14(17-10-18-15(13)20-12)19(2)9-11-4-6-16-7-5-11/h8,10-11,16H,3-7,9H2,1-2H3
InChIKeyPSEUVLUBKWJVBV-UHFFFAOYSA-N
XLogP2.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 79720015) is 6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N(C)CC3CCNCC3)ncnc2s1.
What is the InChIKey of 6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PSEUVLUBKWJVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-3-12-8-13-14(17-10-18-15(13)20-12)19(2)9-11-4-6-16-7-5-11/h8,10-11,16H,3-7,9H2,1-2H3.
What are the key properties of 6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 290.44 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 79720015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).