4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one

C9H15N3O2 — CID 137019361

IUPAC4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one
SMILESCCCCOc1nc(N)c(C)c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-3-4-5-14-9-11-7(10)6(2)8(13)12-9/h3-5H2,1-2H3,(H3,10,11,12,13)
InChIKeyFHESGQAUZXQMOQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.84
Rot. Bonds4

About 4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one

4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 137019361) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one
PubChem CID137019361
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one
SMILESCCCCOc1nc(N)c(C)c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-3-4-5-14-9-11-7(10)6(2)8(13)12-9/h3-5H2,1-2H3,(H3,10,11,12,13)
InChIKeyFHESGQAUZXQMOQ-UHFFFAOYSA-N
XLogP0.84
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.84
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one (CID 137019361) is 4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one is CCCCOc1nc(N)c(C)c(=O)[nH]1.
What is the InChIKey of 4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is FHESGQAUZXQMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-4-5-14-9-11-7(10)6(2)8(13)12-9/h3-5H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one?
4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137019361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).