1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one

C12H13N3O2 — CID 116975894

IUPAC1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one
SMILESCC(=O)CNc1ncc(-c2ccc(C)o2)cn1
InChIInChI=1S/C12H13N3O2/c1-8(16)5-13-12-14-6-10(7-15-12)11-4-3-9(2)17-11/h3-4,6-7H,5H2,1-2H3,(H,13,14,15)
InChIKeyHPOOCPYBOOOKQU-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.05
Rot. Bonds4

About 1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one

1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one (PubChem CID 116975894) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one.

Molecular Properties

Compound Name1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one
PubChem CID116975894
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one
SMILESCC(=O)CNc1ncc(-c2ccc(C)o2)cn1
InChIInChI=1S/C12H13N3O2/c1-8(16)5-13-12-14-6-10(7-15-12)11-4-3-9(2)17-11/h3-4,6-7H,5H2,1-2H3,(H,13,14,15)
InChIKeyHPOOCPYBOOOKQU-UHFFFAOYSA-N
XLogP2.05
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974395
3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol
CID 116975077
3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propanenitrile
CID 116975727
1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine
CID 116974564
1-[[5-(2,3,4-trimethylphenyl)pyrimidin-2-yl]amino]propan-2-one
CID 116975896
1-[[5-(2,4,6-trimethylphenyl)pyrimidin-2-yl]amino]propan-2-one
CID 116975870
1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one
CID 115091235
1-[4-(5-methylfuran-2-yl)phenyl]ethanone
CID 5167325
N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116977334
2-[(5-phenylpyrimidin-2-yl)amino]acetic acid
CID 116975092
2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic acid
CID 171813675
4-[[5-(3,4-dimethylphenyl)pyrimidin-2-yl]amino]butan-2-one
CID 116975916

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one?
The IUPAC name of 1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one (CID 116975894) is 1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one.
What is the SMILES notation for 1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one?
The canonical SMILES for 1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one is CC(=O)CNc1ncc(-c2ccc(C)o2)cn1.
What is the InChIKey of 1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one?
The InChIKey is HPOOCPYBOOOKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8(16)5-13-12-14-6-10(7-15-12)11-4-3-9(2)17-11/h3-4,6-7H,5H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one?
1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one has a molecular weight of 231.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one is sourced from PubChem (CID 116975894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).