5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one

C13H21N5O — CID 80837147

IUPAC5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCCNc1nc(C)nc(NCC2CCC(=O)N2)c1C
InChIInChI=1S/C13H21N5O/c1-4-14-12-8(2)13(17-9(3)16-12)15-7-10-5-6-11(19)18-10/h10H,4-7H2,1-3H3,(H,18,19)(H2,14,15,16,17)
InChIKeyFBGRRWICVGJWAV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.22
Rot. Bonds5

About 5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one

5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 80837147) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
PubChem CID80837147
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCCNc1nc(C)nc(NCC2CCC(=O)N2)c1C
InChIInChI=1S/C13H21N5O/c1-4-14-12-8(2)13(17-9(3)16-12)15-7-10-5-6-11(19)18-10/h10H,4-7H2,1-3H3,(H,18,19)(H2,14,15,16,17)
InChIKeyFBGRRWICVGJWAV-UHFFFAOYSA-N
XLogP1.22
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]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 5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (CID 80837147) is 5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is CCNc1nc(C)nc(NCC2CCC(=O)N2)c1C.
What is the InChIKey of 5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is FBGRRWICVGJWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-14-12-8(2)13(17-9(3)16-12)15-7-10-5-6-11(19)18-10/h10H,4-7H2,1-3H3,(H,18,19)(H2,14,15,16,17).
What are the key properties of 5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 80837147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).