[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone

C17H22N4OS — CID 100759265

IUPAC[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCCc1nc(C)cc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1
InChIInChI=1S/C17H22N4OS/c1-4-15-18-12(2)11-16(19-15)20-7-9-21(10-8-20)17(22)14-6-5-13(3)23-14/h5-6,11H,4,7-10H2,1-3H3
InChIKeyBULQXVWAMHQTGK-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.68
Rot. Bonds3

About [4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone

[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 100759265) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is [4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID100759265
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCCc1nc(C)cc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1
InChIInChI=1S/C17H22N4OS/c1-4-15-18-12(2)11-16(19-15)20-7-9-21(10-8-20)17(22)14-6-5-13(3)23-14/h5-6,11H,4,7-10H2,1-3H3
InChIKeyBULQXVWAMHQTGK-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 60526988
[4-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 133298249
[3-(3,5-dimethylpyrazol-1-yl)-4-fluorophenyl]-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46971442
4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313979
5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 31669649
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
(4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 99798313
[5-(4-chlorophenyl)thiophen-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46656164
methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 114276570
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 55977263
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]octan-1-one
CID 60551588

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 100759265) is [4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone is CCc1nc(C)cc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1.
What is the InChIKey of [4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is BULQXVWAMHQTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-4-15-18-12(2)11-16(19-15)20-7-9-21(10-8-20)17(22)14-6-5-13(3)23-14/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of [4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 330.46 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 100759265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).