4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C12H19N5O2 — CID 131917049

IUPAC4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(CNc2ccnc(N)n2)CC1=O
InChIInChI=1S/C12H19N5O2/c1-19-5-4-17-8-9(6-11(17)18)7-15-10-2-3-14-12(13)16-10/h2-3,9H,4-8H2,1H3,(H3,13,14,15,16)
InChIKeyUWCMDGCPDWDJQS-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.03
Rot. Bonds6

About 4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 131917049) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID131917049
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(CNc2ccnc(N)n2)CC1=O
InChIInChI=1S/C12H19N5O2/c1-19-5-4-17-8-9(6-11(17)18)7-15-10-2-3-14-12(13)16-10/h2-3,9H,4-8H2,1H3,(H3,13,14,15,16)
InChIKeyUWCMDGCPDWDJQS-UHFFFAOYSA-N
XLogP-0.03
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 131917049) is 4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1CC(CNc2ccnc(N)n2)CC1=O.
What is the InChIKey of 4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is UWCMDGCPDWDJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-19-5-4-17-8-9(6-11(17)18)7-15-10-2-3-14-12(13)16-10/h2-3,9H,4-8H2,1H3,(H3,13,14,15,16).
What are the key properties of 4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 265.32 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 131917049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).