4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one

C9H15N3O2 — CID 136973502

IUPAC4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(C)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C9H15N3O2/c1-4-6(2)12-8-7(14-3)9(13)11-5-10-8/h5-6H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyJQJSKIMERXFHQF-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.99
Rot. Bonds4

About 4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one

4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136973502) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136973502
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(C)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C9H15N3O2/c1-4-6(2)12-8-7(14-3)9(13)11-5-10-8/h5-6H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyJQJSKIMERXFHQF-UHFFFAOYSA-N
XLogP0.99
TPSA67.01 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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136973502) is 4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one is CCC(C)Nc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is JQJSKIMERXFHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-6(2)12-8-7(14-3)9(13)11-5-10-8/h5-6H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136973502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).