2-(1-aminopropylamino)-4-hydroxy-1H-pyrimidin-6-one

C7H12N4O2 — CID 70536318

IUPAC2-(1-aminopropylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(N)Nc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c1-2-4(8)9-7-10-5(12)3-6(13)11-7/h3-4H,2,8H2,1H3,(H3,9,10,11,12,13)
InChIKeyZEVXARLCHQHXRL-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.42
Rot. Bonds3

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

2-(1-aminopropylamino)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 70536318) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(1-aminopropylamino)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminopropylamino)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID70536318
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2-(1-aminopropylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(N)Nc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c1-2-4(8)9-7-10-5(12)3-6(13)11-7/h3-4H,2,8H2,1H3,(H3,9,10,11,12,13)
InChIKeyZEVXARLCHQHXRL-UHFFFAOYSA-N
XLogP-0.42
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropylamino)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminopropylamino)-4-hydroxy-1H-pyrimidin-6-one (CID 70536318) is 2-(1-aminopropylamino)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminopropylamino)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminopropylamino)-4-hydroxy-1H-pyrimidin-6-one is CCC(N)Nc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(1-aminopropylamino)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ZEVXARLCHQHXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-2-4(8)9-7-10-5(12)3-6(13)11-7/h3-4H,2,8H2,1H3,(H3,9,10,11,12,13).
What are the key properties of 2-(1-aminopropylamino)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-aminopropylamino)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 184.20 g/mol, XLogP of -0.42, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropylamino)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 70536318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).