6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide

C19H24N4O3S — CID 109372528

IUPAC6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(N(C)C2CCS(=O)(=O)C2)nc(C)n1)c1ccccc1
InChIInChI=1S/C19H24N4O3S/c1-4-23(15-8-6-5-7-9-15)19(24)17-12-18(21-14(2)20-17)22(3)16-10-11-27(25,26)13-16/h5-9,12,16H,4,10-11,13H2,1-3H3
InChIKeyHAAYZCNGJMMEPH-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.08
Rot. Bonds5

About 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide

6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109372528) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109372528
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(N(C)C2CCS(=O)(=O)C2)nc(C)n1)c1ccccc1
InChIInChI=1S/C19H24N4O3S/c1-4-23(15-8-6-5-7-9-15)19(24)17-12-18(21-14(2)20-17)22(3)16-10-11-27(25,26)13-16/h5-9,12,16H,4,10-11,13H2,1-3H3
InChIKeyHAAYZCNGJMMEPH-UHFFFAOYSA-N
XLogP2.08
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109372514
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109372526
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109351952
N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide
CID 109362544
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109309347
N-benzyl-6-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368392
6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371091
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109194030
2-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109331325
6-(cyclopropylamino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360869
4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-ethylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112874610
N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)-N-ethyl-N-phenyloxamide
CID 108518612

Frequently Asked Questions

What is the IUPAC name of 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide (CID 109372528) is 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide is CCN(C(=O)c1cc(N(C)C2CCS(=O)(=O)C2)nc(C)n1)c1ccccc1.
What is the InChIKey of 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is HAAYZCNGJMMEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-4-23(15-8-6-5-7-9-15)19(24)17-12-18(21-14(2)20-17)22(3)16-10-11-27(25,26)13-16/h5-9,12,16H,4,10-11,13H2,1-3H3.
What are the key properties of 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide?
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109372528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).