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

C9H10ClFN4O — CID 79080511

IUPAC1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1nc(Cl)ncc1F
InChIInChI=1S/C9H10ClFN4O/c10-9-13-4-5(11)8(14-9)15-3-1-2-6(15)7(12)16/h4,6H,1-3H2,(H2,12,16)
InChIKeyYZVJIULTVWDCTD-UHFFFAOYSA-N
MW244.66 g/mol
LogP0.72
Rot. Bonds2

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

1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 79080511) has the molecular formula C9H10ClFN4O and a molecular weight of 244.66 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID79080511
Molecular FormulaC9H10ClFN4O
Molecular Weight244.66 g/mol
Exact Mass244.05
IUPAC Name1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1nc(Cl)ncc1F
InChIInChI=1S/C9H10ClFN4O/c10-9-13-4-5(11)8(14-9)15-3-1-2-6(15)7(12)16/h4,6H,1-3H2,(H2,12,16)
InChIKeyYZVJIULTVWDCTD-UHFFFAOYSA-N
XLogP0.72
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.66
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 79080511) is 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1nc(Cl)ncc1F.
What is the InChIKey of 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is YZVJIULTVWDCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN4O/c10-9-13-4-5(11)8(14-9)15-3-1-2-6(15)7(12)16/h4,6H,1-3H2,(H2,12,16).
What are the key properties of 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide?
1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 244.66 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 79080511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).