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

C18H20Cl2N4O3 — CID 135898059

IUPACN-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N4O3/c1-11-13(17(26)23-18(21-11)24-6-8-27-9-7-24)3-5-16(25)22-12-2-4-14(19)15(20)10-12/h2,4,10H,3,5-9H2,1H3,(H,22,25)(H,21,23,26)
InChIKeyRMOAYRZLJXULML-UHFFFAOYSA-N
MW411.29 g/mol
LogP2.79
Rot. Bonds5

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

N-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 135898059) has the molecular formula C18H20Cl2N4O3 and a molecular weight of 411.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID135898059
Molecular FormulaC18H20Cl2N4O3
Molecular Weight411.29 g/mol
Exact Mass410.09
IUPAC NameN-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N4O3/c1-11-13(17(26)23-18(21-11)24-6-8-27-9-7-24)3-5-16(25)22-12-2-4-14(19)15(20)10-12/h2,4,10H,3,5-9H2,1H3,(H,22,25)(H,21,23,26)
InChIKeyRMOAYRZLJXULML-UHFFFAOYSA-N
XLogP2.79
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 135883436
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 135737751
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 135758850
N-(2-methoxy-5-methylphenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135927493
N-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135898089
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135794890
N-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 136535120
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 137302247
N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135667497
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135931467
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 135667488
(E)-2-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoylamino]hex-4-enoic acid
CID 137097170

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 135898059) is N-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide is Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is RMOAYRZLJXULML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O3/c1-11-13(17(26)23-18(21-11)24-6-8-27-9-7-24)3-5-16(25)22-12-2-4-14(19)15(20)10-12/h2,4,10H,3,5-9H2,1H3,(H,22,25)(H,21,23,26).
What are the key properties of N-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 411.29 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 135898059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).