2-[4-(dimethylamino)-6-morpholin-4-yl-2-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid

C27H31N5O5 — CID 59514542

IUPAC2-[4-(dimethylamino)-6-morpholin-4-yl-2-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid
SMILESCN(C)c1nc(Cc2ccc(NC(=O)COc3ccccc3)cc2)nc(N2CCOCC2)c1CC(=O)O
InChIInChI=1S/C27H31N5O5/c1-31(2)26-22(17-25(34)35)27(32-12-14-36-15-13-32)30-23(29-26)16-19-8-10-20(11-9-19)28-24(33)18-37-21-6-4-3-5-7-21/h3-11H,12-18H2,1-2H3,(H,28,33)(H,34,35)
InChIKeyMMGQWURIZXGHCM-UHFFFAOYSA-N
MW505.58 g/mol
LogP2.61
Rot. Bonds10

About 2-[4-(dimethylamino)-6-morpholin-4-yl-2-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid

2-[4-(dimethylamino)-6-morpholin-4-yl-2-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid (PubChem CID 59514542) has the molecular formula C27H31N5O5 and a molecular weight of 505.58 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-morpholin-4-yl-2-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-morpholin-4-yl-2-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid
PubChem CID59514542
Molecular FormulaC27H31N5O5
Molecular Weight505.58 g/mol
Exact Mass505.23
IUPAC Name2-[4-(dimethylamino)-6-morpholin-4-yl-2-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid
SMILESCN(C)c1nc(Cc2ccc(NC(=O)COc3ccccc3)cc2)nc(N2CCOCC2)c1CC(=O)O
InChIInChI=1S/C27H31N5O5/c1-31(2)26-22(17-25(34)35)27(32-12-14-36-15-13-32)30-23(29-26)16-19-8-10-20(11-9-19)28-24(33)18-37-21-6-4-3-5-7-21/h3-11H,12-18H2,1-2H3,(H,28,33)(H,34,35)
InChIKeyMMGQWURIZXGHCM-UHFFFAOYSA-N
XLogP2.61
TPSA117.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.58
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-(dimethylamino)-6-morpholin-4-yl-2-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid 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 2-[4-(dimethylamino)-6-morpholin-4-yl-2-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4-(dimethylamino)-6-morpholin-4-yl-2-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid (CID 59514542) is 2-[4-(dimethylamino)-6-morpholin-4-yl-2-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(dimethylamino)-6-morpholin-4-yl-2-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-(dimethylamino)-6-morpholin-4-yl-2-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid is CN(C)c1nc(Cc2ccc(NC(=O)COc3ccccc3)cc2)nc(N2CCOCC2)c1CC(=O)O.
What is the InChIKey of 2-[4-(dimethylamino)-6-morpholin-4-yl-2-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid?
The InChIKey is MMGQWURIZXGHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O5/c1-31(2)26-22(17-25(34)35)27(32-12-14-36-15-13-32)30-23(29-26)16-19-8-10-20(11-9-19)28-24(33)18-37-21-6-4-3-5-7-21/h3-11H,12-18H2,1-2H3,(H,28,33)(H,34,35).
What are the key properties of 2-[4-(dimethylamino)-6-morpholin-4-yl-2-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid?
2-[4-(dimethylamino)-6-morpholin-4-yl-2-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid has a molecular weight of 505.58 g/mol, XLogP of 2.61, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6-morpholin-4-yl-2-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 59514542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).