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

C12H19N5O — CID 80836843

IUPAC5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCCNc1cc(NCC2CCC(=O)N2)nc(C)n1
InChIInChI=1S/C12H19N5O/c1-3-13-10-6-11(16-8(2)15-10)14-7-9-4-5-12(18)17-9/h6,9H,3-5,7H2,1-2H3,(H,17,18)(H2,13,14,15,16)
InChIKeyGAALDAIXLNNFRF-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.91
Rot. Bonds5

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

5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 80836843) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
PubChem CID80836843
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCCNc1cc(NCC2CCC(=O)N2)nc(C)n1
InChIInChI=1S/C12H19N5O/c1-3-13-10-6-11(16-8(2)15-10)14-7-9-4-5-12(18)17-9/h6,9H,3-5,7H2,1-2H3,(H,17,18)(H2,13,14,15,16)
InChIKeyGAALDAIXLNNFRF-UHFFFAOYSA-N
XLogP0.91
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (CID 80836843) is 5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is CCNc1cc(NCC2CCC(=O)N2)nc(C)n1.
What is the InChIKey of 5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is GAALDAIXLNNFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-13-10-6-11(16-8(2)15-10)14-7-9-4-5-12(18)17-9/h6,9H,3-5,7H2,1-2H3,(H,17,18)(H2,13,14,15,16).
What are the key properties of 5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 249.32 g/mol, XLogP of 0.91, 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-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 80836843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).