5-amino-4-hexoxy-1H-pyrimidin-6-one

C10H17N3O2 — CID 103240490

IUPAC5-amino-4-hexoxy-1H-pyrimidin-6-one
SMILESCCCCCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N3O2/c1-2-3-4-5-6-15-10-8(11)9(14)12-7-13-10/h7H,2-6,11H2,1H3,(H,12,13,14)
InChIKeySPKKYRCEXCFEOP-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.31
Rot. Bonds6

About 5-amino-4-hexoxy-1H-pyrimidin-6-one

5-amino-4-hexoxy-1H-pyrimidin-6-one (PubChem CID 103240490) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-amino-4-hexoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-hexoxy-1H-pyrimidin-6-one
PubChem CID103240490
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-amino-4-hexoxy-1H-pyrimidin-6-one
SMILESCCCCCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N3O2/c1-2-3-4-5-6-15-10-8(11)9(14)12-7-13-10/h7H,2-6,11H2,1H3,(H,12,13,14)
InChIKeySPKKYRCEXCFEOP-UHFFFAOYSA-N
XLogP1.31
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-6-ethoxypyrimidin-4-ol
CID 19152432
5-Amino-6-(propan-2-yloxy)pyrimidin-4-ol
CID 19152493
5-amino-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 19152719
5-Amino-6-propoxypyrimidin-4-ol
CID 80141728
5-amino-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240411
5-amino-4-heptoxy-1H-pyrimidin-6-one
CID 103240420
5-amino-4-(2-butoxyethoxy)-1H-pyrimidin-6-one
CID 103240430
5-amino-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240460
5-amino-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240470
4-hexoxy-1H-pyrimidin-6-one
CID 103240497
5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one
CID 103240522
5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240580

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hexoxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-hexoxy-1H-pyrimidin-6-one (CID 103240490) is 5-amino-4-hexoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-hexoxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-hexoxy-1H-pyrimidin-6-one is CCCCCCOc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-hexoxy-1H-pyrimidin-6-one?
The InChIKey is SPKKYRCEXCFEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-3-4-5-6-15-10-8(11)9(14)12-7-13-10/h7H,2-6,11H2,1H3,(H,12,13,14).
What are the key properties of 5-amino-4-hexoxy-1H-pyrimidin-6-one?
5-amino-4-hexoxy-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hexoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).