2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide

C16H26N4O3S — CID 109331915

IUPAC2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C)cc(C(=O)N(CC)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C16H26N4O3S/c1-5-19(6-2)16-17-12(4)10-14(18-16)15(21)20(7-3)13-8-9-24(22,23)11-13/h10,13H,5-9,11H2,1-4H3
InChIKeyDJLKZZMDHVIGLV-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.28
Rot. Bonds6

About 2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide

2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide (PubChem CID 109331915) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
PubChem CID109331915
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C)cc(C(=O)N(CC)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C16H26N4O3S/c1-5-19(6-2)16-17-12(4)10-14(18-16)15(21)20(7-3)13-8-9-24(22,23)11-13/h10,13H,5-9,11H2,1-4H3
InChIKeyDJLKZZMDHVIGLV-UHFFFAOYSA-N
XLogP1.28
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109331431
6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide
CID 109123689
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361984
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide
CID 110761487
2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319105
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109205296
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63859215
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694235
3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
CID 60716770
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 7259739

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide (CID 109331915) is 2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide is CCN(CC)c1nc(C)cc(C(=O)N(CC)C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is DJLKZZMDHVIGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-5-19(6-2)16-17-12(4)10-14(18-16)15(21)20(7-3)13-8-9-24(22,23)11-13/h10,13H,5-9,11H2,1-4H3.
What are the key properties of 2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide?
2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109331915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).