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

C7H9N3O2 — CID 83862284

IUPAC4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one
SMILESNCc1nc(=O)[nH]c2c1COC2
InChIInChI=1S/C7H9N3O2/c8-1-5-4-2-12-3-6(4)10-7(11)9-5/h1-3,8H2,(H,9,10,11)
InChIKeyUZQJTHJYURZHAP-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.74
Rot. Bonds1

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

4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one (PubChem CID 83862284) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one
PubChem CID83862284
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one
SMILESNCc1nc(=O)[nH]c2c1COC2
InChIInChI=1S/C7H9N3O2/c8-1-5-4-2-12-3-6(4)10-7(11)9-5/h1-3,8H2,(H,9,10,11)
InChIKeyUZQJTHJYURZHAP-UHFFFAOYSA-N
XLogP-0.74
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one (CID 83862284) is 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one is NCc1nc(=O)[nH]c2c1COC2.
What is the InChIKey of 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one?
The InChIKey is UZQJTHJYURZHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-1-5-4-2-12-3-6(4)10-7(11)9-5/h1-3,8H2,(H,9,10,11).
What are the key properties of 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one?
4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one has a molecular weight of 167.17 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83862284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).