1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide

C10H13FN4O — CID 115416730

IUPAC1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1cc(F)ncn1
InChIInChI=1S/C10H13FN4O/c1-12-10(16)7-3-2-4-15(7)9-5-8(11)13-6-14-9/h5-7H,2-4H2,1H3,(H,12,16)
InChIKeyBSBPZKAMCQTXDM-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.33
Rot. Bonds2

About 1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide

1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 115416730) has the molecular formula C10H13FN4O and a molecular weight of 224.24 g/mol. Its IUPAC name is 1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID115416730
Molecular FormulaC10H13FN4O
Molecular Weight224.24 g/mol
Exact Mass224.11
IUPAC Name1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1cc(F)ncn1
InChIInChI=1S/C10H13FN4O/c1-12-10(16)7-3-2-4-15(7)9-5-8(11)13-6-14-9/h5-7H,2-4H2,1H3,(H,12,16)
InChIKeyBSBPZKAMCQTXDM-UHFFFAOYSA-N
XLogP0.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806703
4-(2-ethylpyrrolidin-1-yl)-6-fluoropyrimidine
CID 115416581
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686
1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide
CID 54986454
1-(2-hydrazinylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80904751
1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80806770
1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 114564561
1-(5-aminopyrazin-2-yl)-N-methylpiperidine-2-carboxamide
CID 80653622
(2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94074788
(2S)-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059787
(2S)-1-[6-(2-hydroxypropylamino)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 122059757
(2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 94207481

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide (CID 115416730) is 1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1cc(F)ncn1.
What is the InChIKey of 1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is BSBPZKAMCQTXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O/c1-12-10(16)7-3-2-4-15(7)9-5-8(11)13-6-14-9/h5-7H,2-4H2,1H3,(H,12,16).
What are the key properties of 1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 224.24 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 115416730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).