1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide

C12H18FN5O — CID 80766205

IUPAC1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCCNc1ncc(F)c(N2CCCC2C(N)=O)n1
InChIInChI=1S/C12H18FN5O/c1-2-5-15-12-16-7-8(13)11(17-12)18-6-3-4-9(18)10(14)19/h7,9H,2-6H2,1H3,(H2,14,19)(H,15,16,17)
InChIKeyOSPRCXCAWBCGQY-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.89
Rot. Bonds5

About 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide

1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 80766205) has the molecular formula C12H18FN5O and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID80766205
Molecular FormulaC12H18FN5O
Molecular Weight267.31 g/mol
Exact Mass267.15
IUPAC Name1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCCNc1ncc(F)c(N2CCCC2C(N)=O)n1
InChIInChI=1S/C12H18FN5O/c1-2-5-15-12-16-7-8(13)11(17-12)18-6-3-4-9(18)10(14)19/h7,9H,2-6H2,1H3,(H2,14,19)(H,15,16,17)
InChIKeyOSPRCXCAWBCGQY-UHFFFAOYSA-N
XLogP0.89
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 80766205) is 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide is CCCNc1ncc(F)c(N2CCCC2C(N)=O)n1.
What is the InChIKey of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is OSPRCXCAWBCGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5O/c1-2-5-15-12-16-7-8(13)11(17-12)18-6-3-4-9(18)10(14)19/h7,9H,2-6H2,1H3,(H2,14,19)(H,15,16,17).
What are the key properties of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 80766205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).