2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide

C20H19N3O3S — CID 121026267

IUPAC2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1c[nH]c(=O)n(Cc2cccs2)c1=O
InChIInChI=1S/C20H19N3O3S/c24-18(22-17-9-3-6-13-5-1-2-8-15(13)17)16-11-21-20(26)23(19(16)25)12-14-7-4-10-27-14/h1-2,4-5,7-8,10-11,17H,3,6,9,12H2,(H,21,26)(H,22,24)
InChIKeyMIOZIGZNNGZFHV-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.45
Rot. Bonds4

About 2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide

2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 121026267) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID121026267
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1c[nH]c(=O)n(Cc2cccs2)c1=O
InChIInChI=1S/C20H19N3O3S/c24-18(22-17-9-3-6-13-5-1-2-8-15(13)17)16-11-21-20(26)23(19(16)25)12-14-7-4-10-27-14/h1-2,4-5,7-8,10-11,17H,3,6,9,12H2,(H,21,26)(H,22,24)
InChIKeyMIOZIGZNNGZFHV-UHFFFAOYSA-N
XLogP2.45
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 71778396
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-thiophen-2-ylethyl)urea
CID 51302009
N-(2,2-diethoxyethyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025987
5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121026137
2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide
CID 9397114
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7360172
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532
1-ethyl-2,3-dioxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinoxaline-6-carboxamide
CID 2649526
5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 96548697
2-[[4-(2-phenylethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16508218

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 121026267) is 2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide is O=C(NC1CCCc2ccccc21)c1c[nH]c(=O)n(Cc2cccs2)c1=O.
What is the InChIKey of 2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is MIOZIGZNNGZFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-18(22-17-9-3-6-13-5-1-2-8-15(13)17)16-11-21-20(26)23(19(16)25)12-14-7-4-10-27-14/h1-2,4-5,7-8,10-11,17H,3,6,9,12H2,(H,21,26)(H,22,24).
What are the key properties of 2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121026267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).