2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide

C16H20N4O4S — CID 109326945

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)nc(N(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C16H20N4O4S/c1-11-8-14(15(21)17-9-13-4-3-6-24-13)19-16(18-11)20(2)12-5-7-25(22,23)10-12/h3-4,6,8,12H,5,7,9-10H2,1-2H3,(H,17,21)
InChIKeyAJZXBSNYKIOKEY-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.93
Rot. Bonds5

About 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109326945) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109326945
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)nc(N(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C16H20N4O4S/c1-11-8-14(15(21)17-9-13-4-3-6-24-13)19-16(18-11)20(2)12-5-7-25(22,23)10-12/h3-4,6,8,12H,5,7,9-10H2,1-2H3,(H,17,21)
InChIKeyAJZXBSNYKIOKEY-UHFFFAOYSA-N
XLogP0.93
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109329747
2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319105
2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109331426
4-N-(1,1-dioxothiolan-3-yl)-1-N-(furan-2-ylmethyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109046549
2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109331431
N-(4-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidine-4-carboxamide
CID 109331452
N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidine-4-carboxamide
CID 109331451
N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidine-4-carboxamide
CID 109331425
2-(cyclopentylamino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109321927
6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097102
2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546694
4-N-(1,1-dioxothiolan-3-yl)-1-N-(furan-2-ylmethyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109147772

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide (CID 109326945) is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccco2)nc(N(C)C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is AJZXBSNYKIOKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-11-8-14(15(21)17-9-13-4-3-6-24-13)19-16(18-11)20(2)12-5-7-25(22,23)10-12/h3-4,6,8,12H,5,7,9-10H2,1-2H3,(H,17,21).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide?
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 0.93, 5 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)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109326945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).