5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one

C11H16FN5O — CID 80837054

IUPAC5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCCNc1ncc(F)c(NCC2CCC(=O)N2)n1
InChIInChI=1S/C11H16FN5O/c1-2-13-11-15-6-8(12)10(17-11)14-5-7-3-4-9(18)16-7/h6-7H,2-5H2,1H3,(H,16,18)(H2,13,14,15,17)
InChIKeyYXZKYNCBFMFAJJ-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.74
Rot. Bonds5

About 5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one

5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 80837054) has the molecular formula C11H16FN5O and a molecular weight of 253.28 g/mol. Its IUPAC name is 5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
PubChem CID80837054
Molecular FormulaC11H16FN5O
Molecular Weight253.28 g/mol
Exact Mass253.13
IUPAC Name5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCCNc1ncc(F)c(NCC2CCC(=O)N2)n1
InChIInChI=1S/C11H16FN5O/c1-2-13-11-15-6-8(12)10(17-11)14-5-7-3-4-9(18)16-7/h6-7H,2-5H2,1H3,(H,16,18)(H2,13,14,15,17)
InChIKeyYXZKYNCBFMFAJJ-UHFFFAOYSA-N
XLogP0.74
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715
2-N-ethyl-5-fluoro-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80812414
5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 103328236
4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 81046836
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137925
5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 80917435
5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80836534
5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80837147
5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 104924301
2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80777288
5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80836843
5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 79073907

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (CID 80837054) is 5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is CCNc1ncc(F)c(NCC2CCC(=O)N2)n1.
What is the InChIKey of 5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is YXZKYNCBFMFAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5O/c1-2-13-11-15-6-8(12)10(17-11)14-5-7-3-4-9(18)16-7/h6-7H,2-5H2,1H3,(H,16,18)(H2,13,14,15,17).
What are the key properties of 5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 253.28 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 80837054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).