5-amino-4-(2-methylpentoxy)-1H-pyrimidin-6-one

C10H17N3O2 — CID 103286547

IUPAC5-amino-4-(2-methylpentoxy)-1H-pyrimidin-6-one
SMILESCCCC(C)COc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N3O2/c1-3-4-7(2)5-15-10-8(11)9(14)12-6-13-10/h6-7H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyIRPITSHXQUDFAD-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.17
Rot. Bonds5

About 5-amino-4-(2-methylpentoxy)-1H-pyrimidin-6-one

5-amino-4-(2-methylpentoxy)-1H-pyrimidin-6-one (PubChem CID 103286547) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-amino-4-(2-methylpentoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-methylpentoxy)-1H-pyrimidin-6-one
PubChem CID103286547
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-amino-4-(2-methylpentoxy)-1H-pyrimidin-6-one
SMILESCCCC(C)COc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N3O2/c1-3-4-7(2)5-15-10-8(11)9(14)12-6-13-10/h6-7H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyIRPITSHXQUDFAD-UHFFFAOYSA-N
XLogP1.17
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-methylpentoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-methylpentoxy)-1H-pyrimidin-6-one (CID 103286547) is 5-amino-4-(2-methylpentoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-methylpentoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-methylpentoxy)-1H-pyrimidin-6-one is CCCC(C)COc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2-methylpentoxy)-1H-pyrimidin-6-one?
The InChIKey is IRPITSHXQUDFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-4-7(2)5-15-10-8(11)9(14)12-6-13-10/h6-7H,3-5,11H2,1-2H3,(H,12,13,14).
What are the key properties of 5-amino-4-(2-methylpentoxy)-1H-pyrimidin-6-one?
5-amino-4-(2-methylpentoxy)-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-methylpentoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103286547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).