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

C23H25N5O — CID 18566671

IUPACN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylacetamide
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Cc3ccccc3)cc2)n1
InChIInChI=1S/C23H25N5O/c1-17-15-21(28-13-5-6-14-28)27-23(24-17)26-20-11-9-19(10-12-20)25-22(29)16-18-7-3-2-4-8-18/h2-4,7-12,15H,5-6,13-14,16H2,1H3,(H,25,29)(H,24,26,27)
InChIKeyUHHVAZLGQURRJM-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.31
Rot. Bonds6

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

N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylacetamide (PubChem CID 18566671) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylacetamide
PubChem CID18566671
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylacetamide
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Cc3ccccc3)cc2)n1
InChIInChI=1S/C23H25N5O/c1-17-15-21(28-13-5-6-14-28)27-23(24-17)26-20-11-9-19(10-12-20)25-22(29)16-18-7-3-2-4-8-18/h2-4,7-12,15H,5-6,13-14,16H2,1H3,(H,25,29)(H,24,26,27)
InChIKeyUHHVAZLGQURRJM-UHFFFAOYSA-N
XLogP4.31
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylacetamide (CID 18566671) is N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylacetamide is Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Cc3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylacetamide?
The InChIKey is UHHVAZLGQURRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-15-21(28-13-5-6-14-28)27-23(24-17)26-20-11-9-19(10-12-20)25-22(29)16-18-7-3-2-4-8-18/h2-4,7-12,15H,5-6,13-14,16H2,1H3,(H,25,29)(H,24,26,27).
What are the key properties of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylacetamide?
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylacetamide has a molecular weight of 387.49 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylacetamide is sourced from PubChem (CID 18566671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).