[2-(4-fluorophenyl)-4-[methyl(propan-2-yl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

C19H23FN4O — CID 83282944

IUPAC[2-(4-fluorophenyl)-4-[methyl(propan-2-yl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)N(C)c1nc(-c2ccc(F)cc2)ncc1C(=O)N1CCCC1
InChIInChI=1S/C19H23FN4O/c1-13(2)23(3)18-16(19(25)24-10-4-5-11-24)12-21-17(22-18)14-6-8-15(20)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeyRTWOFYNUICZJJO-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.36
Rot. Bonds4

About [2-(4-fluorophenyl)-4-[methyl(propan-2-yl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

[2-(4-fluorophenyl)-4-[methyl(propan-2-yl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 83282944) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-4-[methyl(propan-2-yl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-4-[methyl(propan-2-yl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID83282944
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name[2-(4-fluorophenyl)-4-[methyl(propan-2-yl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)N(C)c1nc(-c2ccc(F)cc2)ncc1C(=O)N1CCCC1
InChIInChI=1S/C19H23FN4O/c1-13(2)23(3)18-16(19(25)24-10-4-5-11-24)12-21-17(22-18)14-6-8-15(20)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeyRTWOFYNUICZJJO-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-4-[methyl(propan-2-yl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(4-fluorophenyl)-4-[methyl(propan-2-yl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (CID 83282944) is [2-(4-fluorophenyl)-4-[methyl(propan-2-yl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(4-fluorophenyl)-4-[methyl(propan-2-yl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(4-fluorophenyl)-4-[methyl(propan-2-yl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is CC(C)N(C)c1nc(-c2ccc(F)cc2)ncc1C(=O)N1CCCC1.
What is the InChIKey of [2-(4-fluorophenyl)-4-[methyl(propan-2-yl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RTWOFYNUICZJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-13(2)23(3)18-16(19(25)24-10-4-5-11-24)12-21-17(22-18)14-6-8-15(20)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3.
What are the key properties of [2-(4-fluorophenyl)-4-[methyl(propan-2-yl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
[2-(4-fluorophenyl)-4-[methyl(propan-2-yl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 342.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-4-[methyl(propan-2-yl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 83282944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).