7-cyclopentyl-2-(fluoroamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C11H13FN4O — CID 143590467

IUPAC7-cyclopentyl-2-(fluoroamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2cnc(NF)nc2N1C1CCCC1
InChIInChI=1S/C11H13FN4O/c12-15-11-13-6-7-5-9(17)16(10(7)14-11)8-3-1-2-4-8/h6,8H,1-5H2,(H,13,14,15)
InChIKeyYFOVVWYOJDFIFY-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.60
Rot. Bonds2

About 7-cyclopentyl-2-(fluoroamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-cyclopentyl-2-(fluoroamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 143590467) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 7-cyclopentyl-2-(fluoroamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-cyclopentyl-2-(fluoroamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID143590467
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name7-cyclopentyl-2-(fluoroamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2cnc(NF)nc2N1C1CCCC1
InChIInChI=1S/C11H13FN4O/c12-15-11-13-6-7-5-9(17)16(10(7)14-11)8-3-1-2-4-8/h6,8H,1-5H2,(H,13,14,15)
InChIKeyYFOVVWYOJDFIFY-UHFFFAOYSA-N
XLogP1.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-((1-methylethyl)amino)-, monohydrochloride
CID 3078644
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-
CID 3078642
1-Piperazinecarboxamide, N,N-diethyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-
CID 3078643
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(3-methyl-1-piperidinyl)-, monohydrochloride
CID 3078650
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-methyl-1-piperidinyl)-, monohydrochloride
CID 3078652
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylethyl)-1-piperidinyl)-, monohydrochloride
CID 3078654
4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride
CID 3078662
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(1,4'-bipiperidin)-1'-yl-7-methyl-, monohydrochloride
CID 3078666
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-ethyl-1-piperazinyl)-7-methyl-, monohydrochloride
CID 3078674
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylethyl)-1-piperazinyl)-, monohydrochloride
CID 3078676
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-butyl-1-piperazinyl)-7-methyl-, monohydrochloride
CID 3078678
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride
CID 3078680

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-(fluoroamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-cyclopentyl-2-(fluoroamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 143590467) is 7-cyclopentyl-2-(fluoroamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-cyclopentyl-2-(fluoroamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-cyclopentyl-2-(fluoroamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one is O=C1Cc2cnc(NF)nc2N1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-2-(fluoroamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is YFOVVWYOJDFIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c12-15-11-13-6-7-5-9(17)16(10(7)14-11)8-3-1-2-4-8/h6,8H,1-5H2,(H,13,14,15).
What are the key properties of 7-cyclopentyl-2-(fluoroamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-cyclopentyl-2-(fluoroamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 236.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-(fluoroamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 143590467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).