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

C9H13N3O2 — CID 136693536

IUPAC2-(3-aminopropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESNCCCc1nc2c(c(=O)[nH]1)COC2
InChIInChI=1S/C9H13N3O2/c10-3-1-2-8-11-7-5-14-4-6(7)9(13)12-8/h1-5,10H2,(H,11,12,13)
InChIKeyKWYBVMIJEQVSTN-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.31
Rot. Bonds3

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

2-(3-aminopropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (PubChem CID 136693536) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(3-aminopropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
PubChem CID136693536
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(3-aminopropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESNCCCc1nc2c(c(=O)[nH]1)COC2
InChIInChI=1S/C9H13N3O2/c10-3-1-2-8-11-7-5-14-4-6(7)9(13)12-8/h1-5,10H2,(H,11,12,13)
InChIKeyKWYBVMIJEQVSTN-UHFFFAOYSA-N
XLogP-0.31
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(3-aminopropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (CID 136693536) is 2-(3-aminopropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-aminopropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-aminopropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is NCCCc1nc2c(c(=O)[nH]1)COC2.
What is the InChIKey of 2-(3-aminopropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The InChIKey is KWYBVMIJEQVSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-3-1-2-8-11-7-5-14-4-6(7)9(13)12-8/h1-5,10H2,(H,11,12,13).
What are the key properties of 2-(3-aminopropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
2-(3-aminopropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one has a molecular weight of 195.22 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136693536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).