1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one

C10H14N2O2 — CID 83878775

IUPAC1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one
SMILESCC(=O)Cc1ccnc(OC(C)C)n1
InChIInChI=1S/C10H14N2O2/c1-7(2)14-10-11-5-4-9(12-10)6-8(3)13/h4-5,7H,6H2,1-3H3
InChIKeyVIRQTKDYMIKMDU-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.40
Rot. Bonds4

About 1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one

1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one (PubChem CID 83878775) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one
PubChem CID83878775
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one
SMILESCC(=O)Cc1ccnc(OC(C)C)n1
InChIInChI=1S/C10H14N2O2/c1-7(2)14-10-11-5-4-9(12-10)6-8(3)13/h4-5,7H,6H2,1-3H3
InChIKeyVIRQTKDYMIKMDU-UHFFFAOYSA-N
XLogP1.40
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-propan-2-yloxypyrimidin-4-yl)ethanimidamide
CID 83878942
1-(2-methylsulfanylpyrimidin-4-yl)propan-2-one
CID 59606606
ethane;2-propan-2-yloxypyrimidine
CID 159788973
4-tert-butyl-2-propan-2-yloxypyrimidine
CID 169042531
1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one
CID 83888888
2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83879723
1-(4-propylpyrimidin-2-yl)propan-2-one
CID 116901542
1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one
CID 147791657
1-(4-chloro-2-pyridinyl)propan-2-one
CID 68541993
1-(4-tert-butyl-2-pyridinyl)propan-2-one
CID 91432972
1-[6-(aminomethyl)-2-pyridinyl]propan-2-one
CID 118396926
2-pentan-2-yloxypyrimidine-4-carboxylic acid
CID 107555052

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one?
The IUPAC name of 1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one (CID 83878775) is 1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one.
What is the SMILES notation for 1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one?
The canonical SMILES for 1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one is CC(=O)Cc1ccnc(OC(C)C)n1.
What is the InChIKey of 1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one?
The InChIKey is VIRQTKDYMIKMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(2)14-10-11-5-4-9(12-10)6-8(3)13/h4-5,7H,6H2,1-3H3.
What are the key properties of 1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one?
1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one has a molecular weight of 194.23 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one is sourced from PubChem (CID 83878775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).