2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol

C9H12N2O3 — CID 156555745

IUPAC2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
SMILESCOc1nc(OC)c2c(n1)C(O)CC2
InChIInChI=1S/C9H12N2O3/c1-13-8-5-3-4-6(12)7(5)10-9(11-8)14-2/h6,12H,3-4H2,1-2H3
InChIKeyUQEOGCURWQDMAA-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.47
Rot. Bonds2

About 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol

2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol (PubChem CID 156555745) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol.

Molecular Properties

Compound Name2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
PubChem CID156555745
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
SMILESCOc1nc(OC)c2c(n1)C(O)CC2
InChIInChI=1S/C9H12N2O3/c1-13-8-5-3-4-6(12)7(5)10-9(11-8)14-2/h6,12H,3-4H2,1-2H3
InChIKeyUQEOGCURWQDMAA-UHFFFAOYSA-N
XLogP0.47
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?
The IUPAC name of 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol (CID 156555745) is 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol.
What is the SMILES notation for 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?
The canonical SMILES for 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol is COc1nc(OC)c2c(n1)C(O)CC2.
What is the InChIKey of 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?
The InChIKey is UQEOGCURWQDMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-13-8-5-3-4-6(12)7(5)10-9(11-8)14-2/h6,12H,3-4H2,1-2H3.
What are the key properties of 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?
2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol has a molecular weight of 196.21 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol is sourced from PubChem (CID 156555745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).