2-cyclopropyl-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one

C13H20N2O2 — CID 103241772

IUPAC2-cyclopropyl-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one
SMILESCC(C)(C)CCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)6-7-17-11-8-10(16)14-12(15-11)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyAUTXKFITLVVHPJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.46
Rot. Bonds4

About 2-cyclopropyl-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one

2-cyclopropyl-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one (PubChem CID 103241772) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one
PubChem CID103241772
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-cyclopropyl-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one
SMILESCC(C)(C)CCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)6-7-17-11-8-10(16)14-12(15-11)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyAUTXKFITLVVHPJ-UHFFFAOYSA-N
XLogP2.46
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one (CID 103241772) is 2-cyclopropyl-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one is CC(C)(C)CCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one?
The InChIKey is AUTXKFITLVVHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)6-7-17-11-8-10(16)14-12(15-11)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).