3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide

C19H28N6O3 — CID 135885884

IUPAC3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCCN3CCOCC3)c2C)n1
InChIInChI=1S/C19H28N6O3/c1-13-12-18(27)22-19(21-13)25-15(3)16(14(2)23-25)4-5-17(26)20-6-7-24-8-10-28-11-9-24/h12H,4-11H2,1-3H3,(H,20,26)(H,21,22,27)
InChIKeyMYDSVJTYOPIEQE-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.26
Rot. Bonds7

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

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 135885884) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID135885884
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCCN3CCOCC3)c2C)n1
InChIInChI=1S/C19H28N6O3/c1-13-12-18(27)22-19(21-13)25-15(3)16(14(2)23-25)4-5-17(26)20-6-7-24-8-10-28-11-9-24/h12H,4-11H2,1-3H3,(H,20,26)(H,21,22,27)
InChIKeyMYDSVJTYOPIEQE-UHFFFAOYSA-N
XLogP0.26
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)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-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 135885884) is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide is Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCCN3CCOCC3)c2C)n1.
What is the InChIKey of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is MYDSVJTYOPIEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-13-12-18(27)22-19(21-13)25-15(3)16(14(2)23-25)4-5-17(26)20-6-7-24-8-10-28-11-9-24/h12H,4-11H2,1-3H3,(H,20,26)(H,21,22,27).
What are the key properties of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 388.47 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 135885884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).