[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

C15H23N5O3S — CID 109302550

IUPAC[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccnc(NC3CCS(=O)(=O)C3)n2)CC1
InChIInChI=1S/C15H23N5O3S/c1-2-19-6-8-20(9-7-19)14(21)13-3-5-16-15(18-13)17-12-4-10-24(22,23)11-12/h3,5,12H,2,4,6-11H2,1H3,(H,16,17,18)
InChIKeyBSLDEHAZNKETOC-UHFFFAOYSA-N
MW353.45 g/mol
LogP-0.15
Rot. Bonds4

About [2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109302550) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is [2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109302550
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC Name[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccnc(NC3CCS(=O)(=O)C3)n2)CC1
InChIInChI=1S/C15H23N5O3S/c1-2-19-6-8-20(9-7-19)14(21)13-3-5-16-15(18-13)17-12-4-10-24(22,23)11-12/h3,5,12H,2,4,6-11H2,1H3,(H,16,17,18)
InChIKeyBSLDEHAZNKETOC-UHFFFAOYSA-N
XLogP-0.15
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[2-(cyclopropylamino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109295535
[6-[(1,1-dioxothiolan-3-yl)amino]-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367326
[2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109297855
[2-(butan-2-ylamino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109297095
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302398
(4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109299609
N-benzyl-2-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyrimidine-4-carboxamide
CID 109305128
ethyl 4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate
CID 112895965
N-[2-(dimethylamino)ethyl]-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-4-carboxamide
CID 109301260
(4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone
CID 109302586
(4-ethylpiperazin-1-yl)-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109302541
[2-(4-bromoanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302620

Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 109302550) is [2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccnc(NC3CCS(=O)(=O)C3)n2)CC1.
What is the InChIKey of [2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is BSLDEHAZNKETOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-2-19-6-8-20(9-7-19)14(21)13-3-5-16-15(18-13)17-12-4-10-24(22,23)11-12/h3,5,12H,2,4,6-11H2,1H3,(H,16,17,18).
What are the key properties of [2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 353.45 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109302550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).