2-(3-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one

C7H11N3O2 — CID 63554638

IUPAC2-(3-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNCCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c8-3-1-2-5-9-6(11)4-7(12)10-5/h4H,1-3,8H2,(H2,9,10,11,12)
InChIKeyFQGNRDLVJVYZCK-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.63
Rot. Bonds3

About 2-(3-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one

2-(3-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63554638) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(3-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63554638
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(3-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNCCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c8-3-1-2-5-9-6(11)4-7(12)10-5/h4H,1-3,8H2,(H2,9,10,11,12)
InChIKeyFQGNRDLVJVYZCK-UHFFFAOYSA-N
XLogP-0.63
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one (CID 63554638) is 2-(3-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one is NCCCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(3-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is FQGNRDLVJVYZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-3-1-2-5-9-6(11)4-7(12)10-5/h4H,1-3,8H2,(H2,9,10,11,12).
What are the key properties of 2-(3-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(3-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63554638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).