3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide

C18H24N4O3S — CID 137302247

IUPAC3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccsc1CNC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C18H24N4O3S/c1-12-5-10-26-15(12)11-19-16(23)4-3-14-13(2)20-18(21-17(14)24)22-6-8-25-9-7-22/h5,10H,3-4,6-9,11H2,1-2H3,(H,19,23)(H,20,21,24)
InChIKeyMCHKXMPGORQPKA-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.53
Rot. Bonds6

About 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide

3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide (PubChem CID 137302247) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
PubChem CID137302247
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccsc1CNC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C18H24N4O3S/c1-12-5-10-26-15(12)11-19-16(23)4-3-14-13(2)20-18(21-17(14)24)22-6-8-25-9-7-22/h5,10H,3-4,6-9,11H2,1-2H3,(H,19,23)(H,20,21,24)
InChIKeyMCHKXMPGORQPKA-UHFFFAOYSA-N
XLogP1.53
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide (CID 137302247) is 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide is Cc1ccsc1CNC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O.
What is the InChIKey of 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is MCHKXMPGORQPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-12-5-10-26-15(12)11-19-16(23)4-3-14-13(2)20-18(21-17(14)24)22-6-8-25-9-7-22/h5,10H,3-4,6-9,11H2,1-2H3,(H,19,23)(H,20,21,24).
What are the key properties of 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide?
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 376.48 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 137302247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).