3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one

C11H16FN5O — CID 114165271

IUPAC3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
SMILESCCNc1ncc(F)c(NC2CCN(C)C2=O)n1
InChIInChI=1S/C11H16FN5O/c1-3-13-11-14-6-7(12)9(16-11)15-8-4-5-17(2)10(8)18/h6,8H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyAAPXFPROYKKXOS-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.69
Rot. Bonds4

About 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one

3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one (PubChem CID 114165271) has the molecular formula C11H16FN5O and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
PubChem CID114165271
Molecular FormulaC11H16FN5O
Molecular Weight253.28 g/mol
Exact Mass253.13
IUPAC Name3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
SMILESCCNc1ncc(F)c(NC2CCN(C)C2=O)n1
InChIInChI=1S/C11H16FN5O/c1-3-13-11-14-6-7(12)9(16-11)15-8-4-5-17(2)10(8)18/h6,8H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyAAPXFPROYKKXOS-UHFFFAOYSA-N
XLogP0.69
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one
CID 137336667
4-N-(1,3-dimethylpiperidin-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 114506457
2-N-ethyl-5-fluoro-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80812414
2-N-ethyl-5-fluoro-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777660
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715
2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine
CID 103968638
5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80837054
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80801156
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106258583
1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 106258791
2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80823428
2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80777288

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one (CID 114165271) is 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one is CCNc1ncc(F)c(NC2CCN(C)C2=O)n1.
What is the InChIKey of 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is AAPXFPROYKKXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5O/c1-3-13-11-14-6-7(12)9(16-11)15-8-4-5-17(2)10(8)18/h6,8H,3-5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 253.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 114165271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).