4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one

C13H19N5O2 — CID 45249833

IUPAC4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one
SMILESCOc1cc(NCC2CC(=O)N(C3CC3)C2)nc(N)n1
InChIInChI=1S/C13H19N5O2/c1-20-11-5-10(16-13(14)17-11)15-6-8-4-12(19)18(7-8)9-2-3-9/h5,8-9H,2-4,6-7H2,1H3,(H3,14,15,16,17)
InChIKeyAQXNYZYJYVEFKS-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.49
Rot. Bonds5

About 4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one

4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one (PubChem CID 45249833) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one
PubChem CID45249833
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one
SMILESCOc1cc(NCC2CC(=O)N(C3CC3)C2)nc(N)n1
InChIInChI=1S/C13H19N5O2/c1-20-11-5-10(16-13(14)17-11)15-6-8-4-12(19)18(7-8)9-2-3-9/h5,8-9H,2-4,6-7H2,1H3,(H3,14,15,16,17)
InChIKeyAQXNYZYJYVEFKS-UHFFFAOYSA-N
XLogP0.49
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of 4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one (CID 45249833) is 4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for 4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for 4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one is COc1cc(NCC2CC(=O)N(C3CC3)C2)nc(N)n1.
What is the InChIKey of 4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is AQXNYZYJYVEFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-20-11-5-10(16-13(14)17-11)15-6-8-4-12(19)18(7-8)9-2-3-9/h5,8-9H,2-4,6-7H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one?
4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 277.33 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 45249833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).