3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide

C21H28N4O6 — CID 135737751

IUPAC3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C21H28N4O6/c1-13-15(20(27)24-21(22-13)25-7-9-31-10-8-25)5-6-18(26)23-14-11-16(28-2)19(30-4)17(12-14)29-3/h11-12H,5-10H2,1-4H3,(H,23,26)(H,22,24,27)
InChIKeyHOMSYXMUPLVJGA-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.51
Rot. Bonds8

About 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide

3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 135737751) has the molecular formula C21H28N4O6 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID135737751
Molecular FormulaC21H28N4O6
Molecular Weight432.48 g/mol
Exact Mass432.20
IUPAC Name3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C21H28N4O6/c1-13-15(20(27)24-21(22-13)25-7-9-31-10-8-25)5-6-18(26)23-14-11-16(28-2)19(30-4)17(12-14)29-3/h11-12H,5-10H2,1-4H3,(H,23,26)(H,22,24,27)
InChIKeyHOMSYXMUPLVJGA-UHFFFAOYSA-N
XLogP1.51
TPSA115.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide (CID 135737751) is 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc(OC)c1OC.
What is the InChIKey of 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is HOMSYXMUPLVJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O6/c1-13-15(20(27)24-21(22-13)25-7-9-31-10-8-25)5-6-18(26)23-14-11-16(28-2)19(30-4)17(12-14)29-3/h11-12H,5-10H2,1-4H3,(H,23,26)(H,22,24,27).
What are the key properties of 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 432.48 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 135737751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).