2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C6H4ClN3O — CID 2763296

IUPAC2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2cnc(Cl)nc2N1
InChIInChI=1S/C6H4ClN3O/c7-6-8-2-3-1-4(11)9-5(3)10-6/h2H,1H2,(H,8,9,10,11)
InChIKeyHJWLJBJSDPPAFY-UHFFFAOYSA-N
MW169.57 g/mol
LogP0.62
Rot. Bonds

About 2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 2763296) has the molecular formula C6H4ClN3O and a molecular weight of 169.57 g/mol. Its IUPAC name is 2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID2763296
Molecular FormulaC6H4ClN3O
Molecular Weight169.57 g/mol
Exact Mass169.00
IUPAC Name2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2cnc(Cl)nc2N1
InChIInChI=1S/C6H4ClN3O/c7-6-8-2-3-1-4(11)9-5(3)10-6/h2H,1H2,(H,8,9,10,11)
InChIKeyHJWLJBJSDPPAFY-UHFFFAOYSA-N
XLogP0.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.57
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
4-chloro-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 12095870
6,7-Dihydro-5H-pyrrolo(2,3-d)pyrimidine
CID 23294017
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-
CID 3078642
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-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
2-(methylsulfanyl)-5H,6H,7H-pyrrolo(2,3-d)pyrimidin-6-one
CID 55279068
2-(Pyrimidin-5-yl)acetamide
CID 23086840

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 2763296) is 2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is O=C1Cc2cnc(Cl)nc2N1.
What is the InChIKey of 2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is HJWLJBJSDPPAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O/c7-6-8-2-3-1-4(11)9-5(3)10-6/h2H,1H2,(H,8,9,10,11).
What are the key properties of 2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 169.57 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 2763296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).