N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide

C22H28N4O3 — CID 122356805

IUPACN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H28N4O3/c1-16-19(17(2)24-21(23-16)26-10-14-29-15-11-26)25-20(27)22(8-12-28-13-9-22)18-6-4-3-5-7-18/h3-7H,8-15H2,1-2H3,(H,25,27)
InChIKeyMODVZJDVCDGBPG-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.62
Rot. Bonds4

About N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide

N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide (PubChem CID 122356805) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide
PubChem CID122356805
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H28N4O3/c1-16-19(17(2)24-21(23-16)26-10-14-29-15-11-26)25-20(27)22(8-12-28-13-9-22)18-6-4-3-5-7-18/h3-7H,8-15H2,1-2H3,(H,25,27)
InChIKeyMODVZJDVCDGBPG-UHFFFAOYSA-N
XLogP2.62
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide 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

1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide
CID 122356582
4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide
CID 27455998
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-phenyloxane-4-carboxamide
CID 122299702
1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 91968661
5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
CID 91968599
N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 56922873
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 122356836
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122356809
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122356821
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-methylbutanamide
CID 71807274
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide
CID 90491812

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide (CID 122356805) is N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide is Cc1nc(N2CCOCC2)nc(C)c1NC(=O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide?
The InChIKey is MODVZJDVCDGBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-16-19(17(2)24-21(23-16)26-10-14-29-15-11-26)25-20(27)22(8-12-28-13-9-22)18-6-4-3-5-7-18/h3-7H,8-15H2,1-2H3,(H,25,27).
What are the key properties of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide?
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 122356805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).