2-cyclopropyl-5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one

C19H21FN4O2 — CID 70759546

IUPAC2-cyclopropyl-5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C19H21FN4O2/c20-16-4-2-1-3-14(16)12-23-7-9-24(10-8-23)19(26)15-11-21-17(13-5-6-13)22-18(15)25/h1-4,11,13H,5-10,12H2,(H,21,22,25)
InChIKeyZYMJSMFAJMLMFK-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.74
Rot. Bonds4

About 2-cyclopropyl-5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 70759546) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID70759546
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name2-cyclopropyl-5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C19H21FN4O2/c20-16-4-2-1-3-14(16)12-23-7-9-24(10-8-23)19(26)15-11-21-17(13-5-6-13)22-18(15)25/h1-4,11,13H,5-10,12H2,(H,21,22,25)
InChIKeyZYMJSMFAJMLMFK-UHFFFAOYSA-N
XLogP1.74
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one (CID 70759546) is 2-cyclopropyl-5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one is O=C(c1cnc(C2CC2)[nH]c1=O)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 2-cyclopropyl-5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is ZYMJSMFAJMLMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-16-4-2-1-3-14(16)12-23-7-9-24(10-8-23)19(26)15-11-21-17(13-5-6-13)22-18(15)25/h1-4,11,13H,5-10,12H2,(H,21,22,25).
What are the key properties of 2-cyclopropyl-5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 356.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 70759546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).