4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one

C8H11FN2O — CID 135627621

IUPAC4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(C(C)(C)F)nc[nH]c1=O
InChIInChI=1S/C8H11FN2O/c1-5-6(8(2,3)9)10-4-11-7(5)12/h4H,1-3H3,(H,10,11,12)
InChIKeyZXRATTXWFVBDAO-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.28
Rot. Bonds1

About 4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one

4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 135627621) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one
PubChem CID135627621
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(C(C)(C)F)nc[nH]c1=O
InChIInChI=1S/C8H11FN2O/c1-5-6(8(2,3)9)10-4-11-7(5)12/h4H,1-3H3,(H,10,11,12)
InChIKeyZXRATTXWFVBDAO-UHFFFAOYSA-N
XLogP1.28
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one (CID 135627621) is 4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one is Cc1c(C(C)(C)F)nc[nH]c1=O.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is ZXRATTXWFVBDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-5-6(8(2,3)9)10-4-11-7(5)12/h4H,1-3H3,(H,10,11,12).
What are the key properties of 4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one?
4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 170.19 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135627621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).