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

C7H8ClFN2O — CID 135627623

IUPAC5-chloro-4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)(F)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H8ClFN2O/c1-7(2,9)5-4(8)6(12)11-3-10-5/h3H,1-2H3,(H,10,11,12)
InChIKeyMSQQLHIJSQDPPJ-UHFFFAOYSA-N
MW190.60 g/mol
LogP1.63
Rot. Bonds1

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

5-chloro-4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one (PubChem CID 135627623) has the molecular formula C7H8ClFN2O and a molecular weight of 190.60 g/mol. Its IUPAC name is 5-chloro-4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one
PubChem CID135627623
Molecular FormulaC7H8ClFN2O
Molecular Weight190.60 g/mol
Exact Mass190.03
IUPAC Name5-chloro-4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)(F)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H8ClFN2O/c1-7(2,9)5-4(8)6(12)11-3-10-5/h3H,1-2H3,(H,10,11,12)
InChIKeyMSQQLHIJSQDPPJ-UHFFFAOYSA-N
XLogP1.63
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one
CID 136931250
5-chloro-4-(2-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136977253
5-chloro-4-(1-fluoroethyl)-1H-pyrimidin-6-one
CID 135440522
4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137008656
5-chloro-4-(3-chloropropylamino)-1H-pyrimidin-6-one
CID 136971845
4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 137009378
5-chloro-4-(2,3,3-trimethylbutylamino)-1H-pyrimidin-6-one
CID 136976712
5-chloro-4-(1-chloropropan-2-ylsulfonyl)-1H-pyrimidin-6-one
CID 136971739
5-chloro-4-(2-chloropropylamino)-1H-pyrimidin-6-one
CID 136971856
5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009363
5-chloro-4-(6-chlorohexylamino)-1H-pyrimidin-6-one
CID 136755785
5-acetyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135850586

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one (CID 135627623) is 5-chloro-4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one is CC(C)(F)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is MSQQLHIJSQDPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O/c1-7(2,9)5-4(8)6(12)11-3-10-5/h3H,1-2H3,(H,10,11,12).
What are the key properties of 5-chloro-4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one?
5-chloro-4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 190.60 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135627623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).