N-ethyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C20H24N4S — CID 2554357

IUPACN-ethyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C20H24N4S/c1-2-21-19-18-16(15-9-5-3-6-10-15)14-25-20(18)23-17(22-19)13-24-11-7-4-8-12-24/h3,5-6,9-10,14H,2,4,7-8,11-13H2,1H3,(H,21,22,23)
InChIKeyBRYADXWQXOCNNO-UHFFFAOYSA-N
MW352.51 g/mol
LogP4.78
Rot. Bonds5

About N-ethyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-ethyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2554357) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is N-ethyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2554357
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC NameN-ethyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C20H24N4S/c1-2-21-19-18-16(15-9-5-3-6-10-15)14-25-20(18)23-17(22-19)13-24-11-7-4-8-12-24/h3,5-6,9-10,14H,2,4,7-8,11-13H2,1H3,(H,21,22,23)
InChIKeyBRYADXWQXOCNNO-UHFFFAOYSA-N
XLogP4.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 2554357) is N-ethyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of N-ethyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BRYADXWQXOCNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S/c1-2-21-19-18-16(15-9-5-3-6-10-15)14-25-20(18)23-17(22-19)13-24-11-7-4-8-12-24/h3,5-6,9-10,14H,2,4,7-8,11-13H2,1H3,(H,21,22,23).
What are the key properties of N-ethyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 352.51 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2554357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).