1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide

C9H12FN5O — CID 80765388

IUPAC1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1nc(N)ncc1F
InChIInChI=1S/C9H12FN5O/c10-5-4-13-9(12)14-8(5)15-3-1-2-6(15)7(11)16/h4,6H,1-3H2,(H2,11,16)(H2,12,13,14)
InChIKeyOCNRELICHNXFMO-UHFFFAOYSA-N
MW225.23 g/mol
LogP-0.35
Rot. Bonds2

About 1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide

1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 80765388) has the molecular formula C9H12FN5O and a molecular weight of 225.23 g/mol. Its IUPAC name is 1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID80765388
Molecular FormulaC9H12FN5O
Molecular Weight225.23 g/mol
Exact Mass225.10
IUPAC Name1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1nc(N)ncc1F
InChIInChI=1S/C9H12FN5O/c10-5-4-13-9(12)14-8(5)15-3-1-2-6(15)7(11)16/h4,6H,1-3H2,(H2,11,16)(H2,12,13,14)
InChIKeyOCNRELICHNXFMO-UHFFFAOYSA-N
XLogP-0.35
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 80765388) is 1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1nc(N)ncc1F.
What is the InChIKey of 1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is OCNRELICHNXFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN5O/c10-5-4-13-9(12)14-8(5)15-3-1-2-6(15)7(11)16/h4,6H,1-3H2,(H2,11,16)(H2,12,13,14).
What are the key properties of 1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide?
1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 225.23 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 80765388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).