2-(2,6-difluorophenyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

C14H13F2N5O — CID 145146664

IUPAC2-(2,6-difluorophenyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESCCNNc1nc(-c2c(F)cccc2F)nc2c1C(=O)NC2
InChIInChI=1S/C14H13F2N5O/c1-2-18-21-13-11-9(6-17-14(11)22)19-12(20-13)10-7(15)4-3-5-8(10)16/h3-5,18H,2,6H2,1H3,(H,17,22)(H,19,20,21)
InChIKeyPBJUFHQENVAFNQ-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.60
Rot. Bonds4

About 2-(2,6-difluorophenyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

2-(2,6-difluorophenyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 145146664) has the molecular formula C14H13F2N5O and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
PubChem CID145146664
Molecular FormulaC14H13F2N5O
Molecular Weight305.29 g/mol
Exact Mass305.11
IUPAC Name2-(2,6-difluorophenyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESCCNNc1nc(-c2c(F)cccc2F)nc2c1C(=O)NC2
InChIInChI=1S/C14H13F2N5O/c1-2-18-21-13-11-9(6-17-14(11)22)19-12(20-13)10-7(15)4-3-5-8(10)16/h3-5,18H,2,6H2,1H3,(H,17,22)(H,19,20,21)
InChIKeyPBJUFHQENVAFNQ-UHFFFAOYSA-N
XLogP1.60
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (CID 145146664) is 2-(2,6-difluorophenyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is CCNNc1nc(-c2c(F)cccc2F)nc2c1C(=O)NC2.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is PBJUFHQENVAFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5O/c1-2-18-21-13-11-9(6-17-14(11)22)19-12(20-13)10-7(15)4-3-5-8(10)16/h3-5,18H,2,6H2,1H3,(H,17,22)(H,19,20,21).
What are the key properties of 2-(2,6-difluorophenyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
2-(2,6-difluorophenyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 305.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 145146664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).