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

C7H6ClN3O2 — CID 59419276

IUPAC4-chloro-2-methoxy-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1nc(Cl)c2c(n1)NC(=O)C2
InChIInChI=1S/C7H6ClN3O2/c1-13-7-10-5(8)3-2-4(12)9-6(3)11-7/h2H2,1H3,(H,9,10,11,12)
InChIKeyFGKVVZSUPFZMOB-UHFFFAOYSA-N
MW199.60 g/mol
LogP0.63
Rot. Bonds1

About 4-chloro-2-methoxy-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

4-chloro-2-methoxy-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 59419276) has the molecular formula C7H6ClN3O2 and a molecular weight of 199.60 g/mol. Its IUPAC name is 4-chloro-2-methoxy-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-chloro-2-methoxy-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID59419276
Molecular FormulaC7H6ClN3O2
Molecular Weight199.60 g/mol
Exact Mass199.01
IUPAC Name4-chloro-2-methoxy-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1nc(Cl)c2c(n1)NC(=O)C2
InChIInChI=1S/C7H6ClN3O2/c1-13-7-10-5(8)3-2-4(12)9-6(3)11-7/h2H2,1H3,(H,9,10,11,12)
InChIKeyFGKVVZSUPFZMOB-UHFFFAOYSA-N
XLogP0.63
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.60
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-chloro-2-methoxy-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 59419276) is 4-chloro-2-methoxy-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-chloro-2-methoxy-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-chloro-2-methoxy-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is COc1nc(Cl)c2c(n1)NC(=O)C2.
What is the InChIKey of 4-chloro-2-methoxy-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is FGKVVZSUPFZMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O2/c1-13-7-10-5(8)3-2-4(12)9-6(3)11-7/h2H2,1H3,(H,9,10,11,12).
What are the key properties of 4-chloro-2-methoxy-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
4-chloro-2-methoxy-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 199.60 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 59419276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).