5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

C20H27N5O2S — CID 31669649

IUPAC5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1cc(N2CCN(C(=O)CNC(=O)c3ccc(C)s3)CC2)nc(C(C)C)n1
InChIInChI=1S/C20H27N5O2S/c1-13(2)19-22-14(3)11-17(23-19)24-7-9-25(10-8-24)18(26)12-21-20(27)16-6-5-15(4)28-16/h5-6,11,13H,7-10,12H2,1-4H3,(H,21,27)
InChIKeyNNZUFYPIFYWPLH-UHFFFAOYSA-N
MW401.54 g/mol
LogP2.36
Rot. Bonds5

About 5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 31669649) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is 5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID31669649
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC Name5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1cc(N2CCN(C(=O)CNC(=O)c3ccc(C)s3)CC2)nc(C(C)C)n1
InChIInChI=1S/C20H27N5O2S/c1-13(2)19-22-14(3)11-17(23-19)24-7-9-25(10-8-24)18(26)12-21-20(27)16-6-5-15(4)28-16/h5-6,11,13H,7-10,12H2,1-4H3,(H,21,27)
InChIKeyNNZUFYPIFYWPLH-UHFFFAOYSA-N
XLogP2.36
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (CID 31669649) is 5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is Cc1cc(N2CCN(C(=O)CNC(=O)c3ccc(C)s3)CC2)nc(C(C)C)n1.
What is the InChIKey of 5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is NNZUFYPIFYWPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-13(2)19-22-14(3)11-17(23-19)24-7-9-25(10-8-24)18(26)12-21-20(27)16-6-5-15(4)28-16/h5-6,11,13H,7-10,12H2,1-4H3,(H,21,27).
What are the key properties of 5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 401.54 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 31669649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).