4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one

C10H15N5O — CID 106198309

IUPAC4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCc1c(N)ncnc1NC1CNC(=O)C1
InChIInChI=1S/C10H15N5O/c1-2-7-9(11)13-5-14-10(7)15-6-3-8(16)12-4-6/h5-6H,2-4H2,1H3,(H,12,16)(H3,11,13,14,15)
InChIKeySFFBWLZXMYWGBQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.08
Rot. Bonds3

About 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one

4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 106198309) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID106198309
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCc1c(N)ncnc1NC1CNC(=O)C1
InChIInChI=1S/C10H15N5O/c1-2-7-9(11)13-5-14-10(7)15-6-3-8(16)12-4-6/h5-6H,2-4H2,1H3,(H,12,16)(H3,11,13,14,15)
InChIKeySFFBWLZXMYWGBQ-UHFFFAOYSA-N
XLogP-0.08
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 106198309) is 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one is CCc1c(N)ncnc1NC1CNC(=O)C1.
What is the InChIKey of 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is SFFBWLZXMYWGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-2-7-9(11)13-5-14-10(7)15-6-3-8(16)12-4-6/h5-6H,2-4H2,1H3,(H,12,16)(H3,11,13,14,15).
What are the key properties of 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one?
4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106198309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).