2-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide

C19H25N5O — CID 27478088

IUPAC2-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)C(C)C)cc2)n1
InChIInChI=1S/C19H25N5O/c1-13(2)18(25)21-15-6-8-16(9-7-15)22-19-20-14(3)12-17(23-19)24-10-4-5-11-24/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,25)(H,20,22,23)
InChIKeyCFYYSDYYLWEYCX-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.72
Rot. Bonds5

About 2-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide

2-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide (PubChem CID 27478088) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide
PubChem CID27478088
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)C(C)C)cc2)n1
InChIInChI=1S/C19H25N5O/c1-13(2)18(25)21-15-6-8-16(9-7-15)22-19-20-14(3)12-17(23-19)24-10-4-5-11-24/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,25)(H,20,22,23)
InChIKeyCFYYSDYYLWEYCX-UHFFFAOYSA-N
XLogP3.72
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide (CID 27478088) is 2-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide is Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)C(C)C)cc2)n1.
What is the InChIKey of 2-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide?
The InChIKey is CFYYSDYYLWEYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13(2)18(25)21-15-6-8-16(9-7-15)22-19-20-14(3)12-17(23-19)24-10-4-5-11-24/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,25)(H,20,22,23).
What are the key properties of 2-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide?
2-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide has a molecular weight of 339.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide is sourced from PubChem (CID 27478088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).