1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidine-2-carboxamide

C11H16FN5O — CID 80766030

IUPAC1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCNc1ncc(F)c(N2CCCC2C(N)=O)n1
InChIInChI=1S/C11H16FN5O/c1-2-14-11-15-6-7(12)10(16-11)17-5-3-4-8(17)9(13)18/h6,8H,2-5H2,1H3,(H2,13,18)(H,14,15,16)
InChIKeyIKUDIGRYHZFGBJ-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.50
Rot. Bonds4

About 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidine-2-carboxamide

1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 80766030) has the molecular formula C11H16FN5O and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID80766030
Molecular FormulaC11H16FN5O
Molecular Weight253.28 g/mol
Exact Mass253.13
IUPAC Name1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCNc1ncc(F)c(N2CCCC2C(N)=O)n1
InChIInChI=1S/C11H16FN5O/c1-2-14-11-15-6-7(12)10(16-11)17-5-3-4-8(17)9(13)18/h6,8H,2-5H2,1H3,(H2,13,18)(H,14,15,16)
InChIKeyIKUDIGRYHZFGBJ-UHFFFAOYSA-N
XLogP0.50
TPSA84.14 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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 80766030) is 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidine-2-carboxamide is CCNc1ncc(F)c(N2CCCC2C(N)=O)n1.
What is the InChIKey of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is IKUDIGRYHZFGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5O/c1-2-14-11-15-6-7(12)10(16-11)17-5-3-4-8(17)9(13)18/h6,8H,2-5H2,1H3,(H2,13,18)(H,14,15,16).
What are the key properties of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidine-2-carboxamide?
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 80766030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).