2-(2-hydroxyethyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one

C8H10N2O3 — CID 136743938

IUPAC2-(2-hydroxyethyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CCO)nc2c1COC2
InChIInChI=1S/C8H10N2O3/c11-2-1-7-9-6-4-13-3-5(6)8(12)10-7/h11H,1-4H2,(H,9,10,12)
InChIKeyLHBGFWLVMQUDCG-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.67
Rot. Bonds2

About 2-(2-hydroxyethyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one

2-(2-hydroxyethyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (PubChem CID 136743938) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
PubChem CID136743938
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(2-hydroxyethyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CCO)nc2c1COC2
InChIInChI=1S/C8H10N2O3/c11-2-1-7-9-6-4-13-3-5(6)8(12)10-7/h11H,1-4H2,(H,9,10,12)
InChIKeyLHBGFWLVMQUDCG-UHFFFAOYSA-N
XLogP-0.67
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(2-hydroxyethyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (CID 136743938) is 2-(2-hydroxyethyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxyethyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is O=c1[nH]c(CCO)nc2c1COC2.
What is the InChIKey of 2-(2-hydroxyethyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The InChIKey is LHBGFWLVMQUDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-2-1-7-9-6-4-13-3-5(6)8(12)10-7/h11H,1-4H2,(H,9,10,12).
What are the key properties of 2-(2-hydroxyethyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
2-(2-hydroxyethyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one has a molecular weight of 182.18 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136743938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).