1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one

C19H25N5O — CID 72921710

IUPAC1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
SMILESCCc1nc(N)nc(NCc2ccccc2CN2CCCC2=O)c1C
InChIInChI=1S/C19H25N5O/c1-3-16-13(2)18(23-19(20)22-16)21-11-14-7-4-5-8-15(14)12-24-10-6-9-17(24)25/h4-5,7-8H,3,6,9-12H2,1-2H3,(H3,20,21,22,23)
InChIKeyYVLKLCCMLZWMKK-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.66
Rot. Bonds6

About 1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one

1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 72921710) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID72921710
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
SMILESCCc1nc(N)nc(NCc2ccccc2CN2CCCC2=O)c1C
InChIInChI=1S/C19H25N5O/c1-3-16-13(2)18(23-19(20)22-16)21-11-14-7-4-5-8-15(14)12-24-10-6-9-17(24)25/h4-5,7-8H,3,6,9-12H2,1-2H3,(H3,20,21,22,23)
InChIKeyYVLKLCCMLZWMKK-UHFFFAOYSA-N
XLogP2.66
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one 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 1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one (CID 72921710) is 1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one is CCc1nc(N)nc(NCc2ccccc2CN2CCCC2=O)c1C.
What is the InChIKey of 1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is YVLKLCCMLZWMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-16-13(2)18(23-19(20)22-16)21-11-14-7-4-5-8-15(14)12-24-10-6-9-17(24)25/h4-5,7-8H,3,6,9-12H2,1-2H3,(H3,20,21,22,23).
What are the key properties of 1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one?
1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 72921710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).