3-fluoro-N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidine-3-carboxamide

C12H17FN4O — CID 126856926

IUPAC3-fluoro-N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidine-3-carboxamide
SMILESCc1ccnc(N2CCC(F)(C(=O)N(C)C)C2)n1
InChIInChI=1S/C12H17FN4O/c1-9-4-6-14-11(15-9)17-7-5-12(13,8-17)10(18)16(2)3/h4,6H,5,7-8H2,1-3H3
InChIKeyCKCBUSOEODYUGX-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.79
Rot. Bonds2

About 3-fluoro-N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidine-3-carboxamide

3-fluoro-N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidine-3-carboxamide (PubChem CID 126856926) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidine-3-carboxamide
PubChem CID126856926
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name3-fluoro-N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidine-3-carboxamide
SMILESCc1ccnc(N2CCC(F)(C(=O)N(C)C)C2)n1
InChIInChI=1S/C12H17FN4O/c1-9-4-6-14-11(15-9)17-7-5-12(13,8-17)10(18)16(2)3/h4,6H,5,7-8H2,1-3H3
InChIKeyCKCBUSOEODYUGX-UHFFFAOYSA-N
XLogP0.79
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidine-3-carboxamide (CID 126856926) is 3-fluoro-N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidine-3-carboxamide is Cc1ccnc(N2CCC(F)(C(=O)N(C)C)C2)n1.
What is the InChIKey of 3-fluoro-N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is CKCBUSOEODYUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c1-9-4-6-14-11(15-9)17-7-5-12(13,8-17)10(18)16(2)3/h4,6H,5,7-8H2,1-3H3.
What are the key properties of 3-fluoro-N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidine-3-carboxamide?
3-fluoro-N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 126856926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).