2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide

C19H25N5O2 — CID 53047890

IUPAC2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
SMILESCc1cc(Nc2ccc(NC(=O)C(C)C)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H25N5O2/c1-13(2)18(25)22-16-6-4-15(5-7-16)21-17-12-14(3)20-19(23-17)24-8-10-26-11-9-24/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)(H,20,21,23)
InChIKeyROLBCEMUGIVXJD-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.96
Rot. Bonds5

About 2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide

2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide (PubChem CID 53047890) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
PubChem CID53047890
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
SMILESCc1cc(Nc2ccc(NC(=O)C(C)C)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H25N5O2/c1-13(2)18(25)22-16-6-4-15(5-7-16)21-17-12-14(3)20-19(23-17)24-8-10-26-11-9-24/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)(H,20,21,23)
InChIKeyROLBCEMUGIVXJD-UHFFFAOYSA-N
XLogP2.96
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122325940
5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 122326053
3,4-dimethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047898
2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047913
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 53047921
4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122326059
ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 659609
2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide
CID 121090365
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide
CID 122326128
3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047904
6-methyl-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112912347
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-methylphenoxy)acetamide
CID 122326025

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide (CID 53047890) is 2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide is Cc1cc(Nc2ccc(NC(=O)C(C)C)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide?
The InChIKey is ROLBCEMUGIVXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13(2)18(25)22-16-6-4-15(5-7-16)21-17-12-14(3)20-19(23-17)24-8-10-26-11-9-24/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)(H,20,21,23).
What are the key properties of 2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide?
2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide is sourced from PubChem (CID 53047890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).