2-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one

C8H14N4O2 — CID 135474610

IUPAC2-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NCCCCO)cc(=O)[nH]1
InChIInChI=1S/C8H14N4O2/c9-8-11-6(5-7(14)12-8)10-3-1-2-4-13/h5,13H,1-4H2,(H4,9,10,11,12,14)
InChIKeyAAVFIKDCIKRSOM-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.46
Rot. Bonds5

About 2-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one

2-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one (PubChem CID 135474610) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
PubChem CID135474610
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NCCCCO)cc(=O)[nH]1
InChIInChI=1S/C8H14N4O2/c9-8-11-6(5-7(14)12-8)10-3-1-2-4-13/h5,13H,1-4H2,(H4,9,10,11,12,14)
InChIKeyAAVFIKDCIKRSOM-UHFFFAOYSA-N
XLogP-0.46
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one (CID 135474610) is 2-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one is Nc1nc(NCCCCO)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
The InChIKey is AAVFIKDCIKRSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c9-8-11-6(5-7(14)12-8)10-3-1-2-4-13/h5,13H,1-4H2,(H4,9,10,11,12,14).
What are the key properties of 2-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
2-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one has a molecular weight of 198.23 g/mol, XLogP of -0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135474610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).