(2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide

C13H17FN4O — CID 120928900

IUPAC(2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide
SMILESCc1cc(N2C[C@H](F)C[C@H]2C(N)=O)nc(C2CC2)n1
InChIInChI=1S/C13H17FN4O/c1-7-4-11(17-13(16-7)8-2-3-8)18-6-9(14)5-10(18)12(15)19/h4,8-10H,2-3,5-6H2,1H3,(H2,15,19)/t9-,10+/m1/s1
InChIKeyLTIJRPVNASRFAA-ZJUUUORDSA-N
MW264.30 g/mol
LogP1.06
Rot. Bonds3

About (2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 120928900) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is (2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID120928900
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name(2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide
SMILESCc1cc(N2C[C@H](F)C[C@H]2C(N)=O)nc(C2CC2)n1
InChIInChI=1S/C13H17FN4O/c1-7-4-11(17-13(16-7)8-2-3-8)18-6-9(14)5-10(18)12(15)19/h4,8-10H,2-3,5-6H2,1H3,(H2,15,19)/t9-,10+/m1/s1
InChIKeyLTIJRPVNASRFAA-ZJUUUORDSA-N
XLogP1.06
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide (CID 120928900) is (2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide is Cc1cc(N2C[C@H](F)C[C@H]2C(N)=O)nc(C2CC2)n1.
What is the InChIKey of (2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is LTIJRPVNASRFAA-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-7-4-11(17-13(16-7)8-2-3-8)18-6-9(14)5-10(18)12(15)19/h4,8-10H,2-3,5-6H2,1H3,(H2,15,19)/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 120928900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).