3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-2-ethyl-N-(2-morpholin-4-ylethyl)-4-propoxybenzamide

C26H38N4O4 — CID 172767805

IUPAC3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-2-ethyl-N-(2-morpholin-4-ylethyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCCN2CCOCC2)c(CC)c1-c1nc(CC)c(CC)c(=O)[nH]1
InChIInChI=1S/C26H38N4O4/c1-5-15-34-22-10-9-20(25(31)27-11-12-30-13-16-33-17-14-30)18(6-2)23(22)24-28-21(8-4)19(7-3)26(32)29-24/h9-10H,5-8,11-17H2,1-4H3,(H,27,31)(H,28,29,32)
InChIKeyMNXAFRKRPASTCZ-UHFFFAOYSA-N
MW470.61 g/mol
LogP2.97
Rot. Bonds11

About 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-2-ethyl-N-(2-morpholin-4-ylethyl)-4-propoxybenzamide

3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-2-ethyl-N-(2-morpholin-4-ylethyl)-4-propoxybenzamide (PubChem CID 172767805) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-2-ethyl-N-(2-morpholin-4-ylethyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-2-ethyl-N-(2-morpholin-4-ylethyl)-4-propoxybenzamide
PubChem CID172767805
Molecular FormulaC26H38N4O4
Molecular Weight470.61 g/mol
Exact Mass470.29
IUPAC Name3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-2-ethyl-N-(2-morpholin-4-ylethyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCCN2CCOCC2)c(CC)c1-c1nc(CC)c(CC)c(=O)[nH]1
InChIInChI=1S/C26H38N4O4/c1-5-15-34-22-10-9-20(25(31)27-11-12-30-13-16-33-17-14-30)18(6-2)23(22)24-28-21(8-4)19(7-3)26(32)29-24/h9-10H,5-8,11-17H2,1-4H3,(H,27,31)(H,28,29,32)
InChIKeyMNXAFRKRPASTCZ-UHFFFAOYSA-N
XLogP2.97
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-benzoyl-2-(4-benzylpiperazin-1-yl)-6-propoxyphenyl]-4,5-diethyl-1H-pyrimidin-6-one
CID 136999343
N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452
4-methoxy-N-(2-morpholin-4-ylethyl)-3-pentoxybenzamide
CID 19363436
5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide
CID 119445271
5-[5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]-N-(2-morpholin-4-ylethyl)-2-propoxybenzamide
CID 25204724
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
2-(difluoromethoxy)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 119045783
1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide
CID 135890169
N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 110689462
1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 8660334
3-[3-(4-ethoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 135868263

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-2-ethyl-N-(2-morpholin-4-ylethyl)-4-propoxybenzamide?
The IUPAC name of 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-2-ethyl-N-(2-morpholin-4-ylethyl)-4-propoxybenzamide (CID 172767805) is 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-2-ethyl-N-(2-morpholin-4-ylethyl)-4-propoxybenzamide.
What is the SMILES notation for 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-2-ethyl-N-(2-morpholin-4-ylethyl)-4-propoxybenzamide?
The canonical SMILES for 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-2-ethyl-N-(2-morpholin-4-ylethyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)NCCN2CCOCC2)c(CC)c1-c1nc(CC)c(CC)c(=O)[nH]1.
What is the InChIKey of 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-2-ethyl-N-(2-morpholin-4-ylethyl)-4-propoxybenzamide?
The InChIKey is MNXAFRKRPASTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O4/c1-5-15-34-22-10-9-20(25(31)27-11-12-30-13-16-33-17-14-30)18(6-2)23(22)24-28-21(8-4)19(7-3)26(32)29-24/h9-10H,5-8,11-17H2,1-4H3,(H,27,31)(H,28,29,32).
What are the key properties of 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-2-ethyl-N-(2-morpholin-4-ylethyl)-4-propoxybenzamide?
3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-2-ethyl-N-(2-morpholin-4-ylethyl)-4-propoxybenzamide has a molecular weight of 470.61 g/mol, XLogP of 2.97, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-2-ethyl-N-(2-morpholin-4-ylethyl)-4-propoxybenzamide is sourced from PubChem (CID 172767805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).