[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone

C17H22N4O2S — CID 42473390

IUPAC[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1nc(OC(C)C)cc(N2CCN(C(=O)c3cccs3)CC2)n1
InChIInChI=1S/C17H22N4O2S/c1-12(2)23-16-11-15(18-13(3)19-16)20-6-8-21(9-7-20)17(22)14-5-4-10-24-14/h4-5,10-12H,6-9H2,1-3H3
InChIKeyMPLPCUONXMCRBS-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.60
Rot. Bonds4

About [4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 42473390) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is [4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID42473390
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1nc(OC(C)C)cc(N2CCN(C(=O)c3cccs3)CC2)n1
InChIInChI=1S/C17H22N4O2S/c1-12(2)23-16-11-15(18-13(3)19-16)20-6-8-21(9-7-20)17(22)14-5-4-10-24-14/h4-5,10-12H,6-9H2,1-3H3
InChIKeyMPLPCUONXMCRBS-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 122340190
[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 91770991
(3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42065406
4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide
CID 42473670
[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 56700437
[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42110651
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7292425
N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide
CID 42065423
(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 108741624
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 35197509
[4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 162718253

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 42473390) is [4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone is Cc1nc(OC(C)C)cc(N2CCN(C(=O)c3cccs3)CC2)n1.
What is the InChIKey of [4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is MPLPCUONXMCRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12(2)23-16-11-15(18-13(3)19-16)20-6-8-21(9-7-20)17(22)14-5-4-10-24-14/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of [4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 346.46 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 42473390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).