4-amino-5-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one

C10H11N3O2 — CID 136741700

IUPAC4-amino-5-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccoc1-c1nc(N)c(C)c(=O)[nH]1
InChIInChI=1S/C10H11N3O2/c1-5-3-4-15-7(5)9-12-8(11)6(2)10(14)13-9/h3-4H,1-2H3,(H3,11,12,13,14)
InChIKeyHTUFTKZKMLSVKQ-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.23
Rot. Bonds1

About 4-amino-5-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one

4-amino-5-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one (PubChem CID 136741700) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-amino-5-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one
PubChem CID136741700
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-amino-5-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccoc1-c1nc(N)c(C)c(=O)[nH]1
InChIInChI=1S/C10H11N3O2/c1-5-3-4-15-7(5)9-12-8(11)6(2)10(14)13-9/h3-4H,1-2H3,(H3,11,12,13,14)
InChIKeyHTUFTKZKMLSVKQ-UHFFFAOYSA-N
XLogP1.23
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one (CID 136741700) is 4-amino-5-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one is Cc1ccoc1-c1nc(N)c(C)c(=O)[nH]1.
What is the InChIKey of 4-amino-5-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one?
The InChIKey is HTUFTKZKMLSVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-5-3-4-15-7(5)9-12-8(11)6(2)10(14)13-9/h3-4H,1-2H3,(H3,11,12,13,14).
What are the key properties of 4-amino-5-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one?
4-amino-5-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one has a molecular weight of 205.22 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).