3-[3-(3-aminopyrazol-1-yl)propyl]-2-methoxy-6-methylpyrimidin-4-one

C12H17N5O2 — CID 79366661

IUPAC3-[3-(3-aminopyrazol-1-yl)propyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCCn1ccc(N)n1
InChIInChI=1S/C12H17N5O2/c1-9-8-11(18)17(12(14-9)19-2)6-3-5-16-7-4-10(13)15-16/h4,7-8H,3,5-6H2,1-2H3,(H2,13,15)
InChIKeyUHROOSUIBQHUHU-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.43
Rot. Bonds5

About 3-[3-(3-aminopyrazol-1-yl)propyl]-2-methoxy-6-methylpyrimidin-4-one

3-[3-(3-aminopyrazol-1-yl)propyl]-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 79366661) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[3-(3-aminopyrazol-1-yl)propyl]-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(3-aminopyrazol-1-yl)propyl]-2-methoxy-6-methylpyrimidin-4-one
PubChem CID79366661
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name3-[3-(3-aminopyrazol-1-yl)propyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCCn1ccc(N)n1
InChIInChI=1S/C12H17N5O2/c1-9-8-11(18)17(12(14-9)19-2)6-3-5-16-7-4-10(13)15-16/h4,7-8H,3,5-6H2,1-2H3,(H2,13,15)
InChIKeyUHROOSUIBQHUHU-UHFFFAOYSA-N
XLogP0.43
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminopyrazol-1-yl)propyl]-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-[3-(3-aminopyrazol-1-yl)propyl]-2-methoxy-6-methylpyrimidin-4-one (CID 79366661) is 3-[3-(3-aminopyrazol-1-yl)propyl]-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[3-(3-aminopyrazol-1-yl)propyl]-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[3-(3-aminopyrazol-1-yl)propyl]-2-methoxy-6-methylpyrimidin-4-one is COc1nc(C)cc(=O)n1CCCn1ccc(N)n1.
What is the InChIKey of 3-[3-(3-aminopyrazol-1-yl)propyl]-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is UHROOSUIBQHUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-9-8-11(18)17(12(14-9)19-2)6-3-5-16-7-4-10(13)15-16/h4,7-8H,3,5-6H2,1-2H3,(H2,13,15).
What are the key properties of 3-[3-(3-aminopyrazol-1-yl)propyl]-2-methoxy-6-methylpyrimidin-4-one?
3-[3-(3-aminopyrazol-1-yl)propyl]-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 263.30 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-aminopyrazol-1-yl)propyl]-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 79366661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).