3-(2,3-dihydroxypropyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one

C11H15N3O3 — CID 110429658

IUPAC3-(2,3-dihydroxypropyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(CC(O)CO)c(C)nc2[nH]1
InChIInChI=1S/C11H15N3O3/c1-6-3-9-10(12-6)13-7(2)14(11(9)17)4-8(16)5-15/h3,8,12,15-16H,4-5H2,1-2H3
InChIKeyOWYXJGKFUSUTDN-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.31
Rot. Bonds3

About 3-(2,3-dihydroxypropyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one

3-(2,3-dihydroxypropyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 110429658) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID110429658
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-(2,3-dihydroxypropyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(CC(O)CO)c(C)nc2[nH]1
InChIInChI=1S/C11H15N3O3/c1-6-3-9-10(12-6)13-7(2)14(11(9)17)4-8(16)5-15/h3,8,12,15-16H,4-5H2,1-2H3
InChIKeyOWYXJGKFUSUTDN-UHFFFAOYSA-N
XLogP-0.31
TPSA91.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(2,3-dihydroxypropyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one (CID 110429658) is 3-(2,3-dihydroxypropyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,3-dihydroxypropyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)n(CC(O)CO)c(C)nc2[nH]1.
What is the InChIKey of 3-(2,3-dihydroxypropyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is OWYXJGKFUSUTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6-3-9-10(12-6)13-7(2)14(11(9)17)4-8(16)5-15/h3,8,12,15-16H,4-5H2,1-2H3.
What are the key properties of 3-(2,3-dihydroxypropyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
3-(2,3-dihydroxypropyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 237.26 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 110429658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).