3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one

C10H13FN4O2 — CID 137336667

IUPAC3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one
SMILESCOc1nc(NC2CCN(C)C2=O)ncc1F
InChIInChI=1S/C10H13FN4O2/c1-15-4-3-7(9(15)16)13-10-12-5-6(11)8(14-10)17-2/h5,7H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyNAZNQAYIRHMBBU-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.27
Rot. Bonds3

About 3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one

3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 137336667) has the molecular formula C10H13FN4O2 and a molecular weight of 240.24 g/mol. Its IUPAC name is 3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID137336667
Molecular FormulaC10H13FN4O2
Molecular Weight240.24 g/mol
Exact Mass240.10
IUPAC Name3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one
SMILESCOc1nc(NC2CCN(C)C2=O)ncc1F
InChIInChI=1S/C10H13FN4O2/c1-15-4-3-7(9(15)16)13-10-12-5-6(11)8(14-10)17-2/h5,7H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyNAZNQAYIRHMBBU-UHFFFAOYSA-N
XLogP0.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one (CID 137336667) is 3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one is COc1nc(NC2CCN(C)C2=O)ncc1F.
What is the InChIKey of 3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is NAZNQAYIRHMBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O2/c1-15-4-3-7(9(15)16)13-10-12-5-6(11)8(14-10)17-2/h5,7H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one?
3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 240.24 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 137336667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).