2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

C12H11N5O2 — CID 136816898

IUPAC2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2N)n1
InChIInChI=1S/C12H11N5O2/c1-7-5-11(18)15-12(14-7)17-10(13)6-8(16-17)9-3-2-4-19-9/h2-6H,13H2,1H3,(H,14,15,18)
InChIKeyZEMAMVNIYOFSCU-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.11
Rot. Bonds2

About 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136816898) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136816898
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2N)n1
InChIInChI=1S/C12H11N5O2/c1-7-5-11(18)15-12(14-7)17-10(13)6-8(16-17)9-3-2-4-19-9/h2-6H,13H2,1H3,(H,14,15,18)
InChIKeyZEMAMVNIYOFSCU-UHFFFAOYSA-N
XLogP1.11
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 136816898) is 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2N)n1.
What is the InChIKey of 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ZEMAMVNIYOFSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-7-5-11(18)15-12(14-7)17-10(13)6-8(16-17)9-3-2-4-19-9/h2-6H,13H2,1H3,(H,14,15,18).
What are the key properties of 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 257.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136816898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).