2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one

C12H18N2O2 — CID 103240480

IUPAC2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
SMILESCCC(C)(C)Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H18N2O2/c1-4-12(2,3)16-10-7-9(15)13-11(14-10)8-5-6-8/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyIKZOFDJLRLAFSH-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.21
Rot. Bonds4

About 2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one

2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one (PubChem CID 103240480) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
PubChem CID103240480
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
SMILESCCC(C)(C)Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H18N2O2/c1-4-12(2,3)16-10-7-9(15)13-11(14-10)8-5-6-8/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyIKZOFDJLRLAFSH-UHFFFAOYSA-N
XLogP2.21
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103241636
4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
CID 114586522
2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240401
2-cyclopropyl-4-(2-methylpentan-2-ylamino)-1H-pyrimidin-6-one
CID 136977049
2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 106825746
2-cyclopropyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241188
2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one
CID 103240966
2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103240890
2-cyclopropyl-4-(2,3-dimethylphenoxy)-1H-pyrimidin-6-one
CID 103241006
2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 103242112
2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one
CID 103241116

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one (CID 103240480) is 2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one is CCC(C)(C)Oc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one?
The InChIKey is IKZOFDJLRLAFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-12(2,3)16-10-7-9(15)13-11(14-10)8-5-6-8/h7-8H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).