5-amino-4-pentan-2-yloxy-1H-pyrimidin-6-one

C9H15N3O2 — CID 103242095

IUPAC5-amino-4-pentan-2-yloxy-1H-pyrimidin-6-one
SMILESCCCC(C)Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N3O2/c1-3-4-6(2)14-9-7(10)8(13)11-5-12-9/h5-6H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyHZRWQECLKOWHCR-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.92
Rot. Bonds4

About 5-amino-4-pentan-2-yloxy-1H-pyrimidin-6-one

5-amino-4-pentan-2-yloxy-1H-pyrimidin-6-one (PubChem CID 103242095) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-amino-4-pentan-2-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-pentan-2-yloxy-1H-pyrimidin-6-one
PubChem CID103242095
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-amino-4-pentan-2-yloxy-1H-pyrimidin-6-one
SMILESCCCC(C)Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N3O2/c1-3-4-6(2)14-9-7(10)8(13)11-5-12-9/h5-6H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyHZRWQECLKOWHCR-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-pentan-2-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-pentan-2-yloxy-1H-pyrimidin-6-one (CID 103242095) is 5-amino-4-pentan-2-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-pentan-2-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-pentan-2-yloxy-1H-pyrimidin-6-one is CCCC(C)Oc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-pentan-2-yloxy-1H-pyrimidin-6-one?
The InChIKey is HZRWQECLKOWHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-4-6(2)14-9-7(10)8(13)11-5-12-9/h5-6H,3-4,10H2,1-2H3,(H,11,12,13).
What are the key properties of 5-amino-4-pentan-2-yloxy-1H-pyrimidin-6-one?
5-amino-4-pentan-2-yloxy-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-pentan-2-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103242095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).