3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]pyrrolidin-2-one

C11H17N5O2 — CID 50974007

IUPAC3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCC(C)Oc1cc(NC2CCNC2=O)nc(N)n1
InChIInChI=1S/C11H17N5O2/c1-6(2)18-9-5-8(15-11(12)16-9)14-7-3-4-13-10(7)17/h5-7H,3-4H2,1-2H3,(H,13,17)(H3,12,14,15,16)
InChIKeySBUJYJZCDYHFMI-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.15
Rot. Bonds4

About 3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]pyrrolidin-2-one

3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 50974007) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID50974007
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCC(C)Oc1cc(NC2CCNC2=O)nc(N)n1
InChIInChI=1S/C11H17N5O2/c1-6(2)18-9-5-8(15-11(12)16-9)14-7-3-4-13-10(7)17/h5-7H,3-4H2,1-2H3,(H,13,17)(H3,12,14,15,16)
InChIKeySBUJYJZCDYHFMI-UHFFFAOYSA-N
XLogP0.15
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]pyrrolidin-2-one (CID 50974007) is 3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]pyrrolidin-2-one is CC(C)Oc1cc(NC2CCNC2=O)nc(N)n1.
What is the InChIKey of 3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is SBUJYJZCDYHFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-6(2)18-9-5-8(15-11(12)16-9)14-7-3-4-13-10(7)17/h5-7H,3-4H2,1-2H3,(H,13,17)(H3,12,14,15,16).
What are the key properties of 3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]pyrrolidin-2-one?
3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 251.29 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 50974007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).