4-(methylaminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one

C8H11N3O2 — CID 83862281

IUPAC4-(methylaminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one
SMILESCNCc1nc(=O)[nH]c2c1COC2
InChIInChI=1S/C8H11N3O2/c1-9-2-6-5-3-13-4-7(5)11-8(12)10-6/h9H,2-4H2,1H3,(H,10,11,12)
InChIKeyLTCIERTXOAOADL-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.48
Rot. Bonds2

About 4-(methylaminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one

4-(methylaminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one (PubChem CID 83862281) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-(methylaminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(methylaminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one
PubChem CID83862281
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-(methylaminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one
SMILESCNCc1nc(=O)[nH]c2c1COC2
InChIInChI=1S/C8H11N3O2/c1-9-2-6-5-3-13-4-7(5)11-8(12)10-6/h9H,2-4H2,1H3,(H,10,11,12)
InChIKeyLTCIERTXOAOADL-UHFFFAOYSA-N
XLogP-0.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-(methylaminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one (CID 83862281) is 4-(methylaminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-(methylaminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-(methylaminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one is CNCc1nc(=O)[nH]c2c1COC2.
What is the InChIKey of 4-(methylaminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one?
The InChIKey is LTCIERTXOAOADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-9-2-6-5-3-13-4-7(5)11-8(12)10-6/h9H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 4-(methylaminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one?
4-(methylaminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one has a molecular weight of 181.19 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83862281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).