6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide

C16H23N5O4S — CID 109345883

IUPAC6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2cc(C(=O)N(C)C3CCS(=O)(=O)C3)ncn2)CC1
InChIInChI=1S/C16H23N5O4S/c1-12(22)20-4-6-21(7-5-20)15-9-14(17-11-18-15)16(23)19(2)13-3-8-26(24,25)10-13/h9,11,13H,3-8,10H2,1-2H3
InChIKeyBYAIMGVHZRBJBI-UHFFFAOYSA-N
MW381.46 g/mol
LogP-0.60
Rot. Bonds3

About 6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide

6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide (PubChem CID 109345883) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
PubChem CID109345883
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2cc(C(=O)N(C)C3CCS(=O)(=O)C3)ncn2)CC1
InChIInChI=1S/C16H23N5O4S/c1-12(22)20-4-6-21(7-5-20)15-9-14(17-11-18-15)16(23)19(2)13-3-8-26(24,25)10-13/h9,11,13H,3-8,10H2,1-2H3
InChIKeyBYAIMGVHZRBJBI-UHFFFAOYSA-N
XLogP-0.60
TPSA103.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide with MolForge

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Related Compounds

5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide
CID 109279189
4-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109209169
1-[4-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914842
N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide
CID 109351966
6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109345911
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111762
4-(azepane-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109088416
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylpiperazin-1-yl)-N-methylpyridine-4-carboxamide
CID 109168738
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344443
6-[3-(dimethylamino)propylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
CID 109344716
6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
CID 109352004
1-[4-[6-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109341019

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide (CID 109345883) is 6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide is CC(=O)N1CCN(c2cc(C(=O)N(C)C3CCS(=O)(=O)C3)ncn2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide?
The InChIKey is BYAIMGVHZRBJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-12(22)20-4-6-21(7-5-20)15-9-14(17-11-18-15)16(23)19(2)13-3-8-26(24,25)10-13/h9,11,13H,3-8,10H2,1-2H3.
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide has a molecular weight of 381.46 g/mol, XLogP of -0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109345883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).