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

C11H15N5O2 — CID 137016246

IUPAC5-methoxy-4-(1-pyrazol-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)Cn2cccn2)nc[nH]c1=O
InChIInChI=1S/C11H15N5O2/c1-8(6-16-5-3-4-14-16)15-10-9(18-2)11(17)13-7-12-10/h3-5,7-8H,6H2,1-2H3,(H2,12,13,15,17)
InChIKeyXXQIJLSUAPBROO-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.48
Rot. Bonds5

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

5-methoxy-4-(1-pyrazol-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 137016246) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-methoxy-4-(1-pyrazol-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(1-pyrazol-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID137016246
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name5-methoxy-4-(1-pyrazol-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)Cn2cccn2)nc[nH]c1=O
InChIInChI=1S/C11H15N5O2/c1-8(6-16-5-3-4-14-16)15-10-9(18-2)11(17)13-7-12-10/h3-5,7-8H,6H2,1-2H3,(H2,12,13,15,17)
InChIKeyXXQIJLSUAPBROO-UHFFFAOYSA-N
XLogP0.48
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(1-pyrazol-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(1-pyrazol-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one (CID 137016246) is 5-methoxy-4-(1-pyrazol-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(1-pyrazol-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(1-pyrazol-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one is COc1c(NC(C)Cn2cccn2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(1-pyrazol-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is XXQIJLSUAPBROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-8(6-16-5-3-4-14-16)15-10-9(18-2)11(17)13-7-12-10/h3-5,7-8H,6H2,1-2H3,(H2,12,13,15,17).
What are the key properties of 5-methoxy-4-(1-pyrazol-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one?
5-methoxy-4-(1-pyrazol-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 249.27 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(1-pyrazol-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137016246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).