N-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide

C13H16N4O2S — CID 110331977

IUPACN-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2cccs2)[nH]c(=O)n1
InChIInChI=1S/C13H16N4O2S/c1-17(2)6-5-14-12(18)10-8-9(15-13(19)16-10)11-4-3-7-20-11/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)(H,15,16,19)
InChIKeyNSUKJPNHWBGEDR-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.79
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 110331977) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID110331977
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2cccs2)[nH]c(=O)n1
InChIInChI=1S/C13H16N4O2S/c1-17(2)6-5-14-12(18)10-8-9(15-13(19)16-10)11-4-3-7-20-11/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)(H,15,16,19)
InChIKeyNSUKJPNHWBGEDR-UHFFFAOYSA-N
XLogP0.79
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110332039
2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110331976
2-oxo-6-thiophen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrimidine-4-carboxamide
CID 110525744
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
2-oxo-N-[(E)-(2-propoxyphenyl)methylideneamino]-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110525734
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110525617
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4541303
N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110525663
N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 53032327
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110525656
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761828
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 121119294

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide (CID 110331977) is N-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide is CN(C)CCNC(=O)c1cc(-c2cccs2)[nH]c(=O)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is NSUKJPNHWBGEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-17(2)6-5-14-12(18)10-8-9(15-13(19)16-10)11-4-3-7-20-11/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)(H,15,16,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 110331977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).