N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)propanamide

C19H26N4O3S — CID 137296629

IUPACN-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C19H26N4O3S/c1-3-22(13-15-5-4-12-27-15)17(24)7-6-16-14(2)20-19(21-18(16)25)23-8-10-26-11-9-23/h4-5,12H,3,6-11,13H2,1-2H3,(H,20,21,25)
InChIKeyRCIWUHYODASRHS-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.96
Rot. Bonds7

About N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)propanamide

N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 137296629) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID137296629
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C19H26N4O3S/c1-3-22(13-15-5-4-12-27-15)17(24)7-6-16-14(2)20-19(21-18(16)25)23-8-10-26-11-9-23/h4-5,12H,3,6-11,13H2,1-2H3,(H,20,21,25)
InChIKeyRCIWUHYODASRHS-UHFFFAOYSA-N
XLogP1.96
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-phenylpropanamide
CID 135877201
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 135667488
N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137302255
N-cyclohexyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137278239
2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid
CID 136990446
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135931467
2-[butan-2-yl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]acetic acid
CID 137108633
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 137302247
5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 137288209
4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one
CID 135462710
N-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137294523

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 137296629) is N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)propanamide is CCN(Cc1cccs1)C(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O.
What is the InChIKey of N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is RCIWUHYODASRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-3-22(13-15-5-4-12-27-15)17(24)7-6-16-14(2)20-19(21-18(16)25)23-8-10-26-11-9-23/h4-5,12H,3,6-11,13H2,1-2H3,(H,20,21,25).
What are the key properties of N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)propanamide?
N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 390.51 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 137296629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).