4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine

C14H15FN2O — CID 113305641

IUPAC4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
SMILESCc1ccc(C(C)C)cc1Oc1cc(F)ncn1
InChIInChI=1S/C14H15FN2O/c1-9(2)11-5-4-10(3)12(6-11)18-14-7-13(15)16-8-17-14/h4-9H,1-3H3
InChIKeyGQJFVOMTSSMIPM-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.84
Rot. Bonds3

About 4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine

4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine (PubChem CID 113305641) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
PubChem CID113305641
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
SMILESCc1ccc(C(C)C)cc1Oc1cc(F)ncn1
InChIInChI=1S/C14H15FN2O/c1-9(2)11-5-4-10(3)12(6-11)18-14-7-13(15)16-8-17-14/h4-9H,1-3H3
InChIKeyGQJFVOMTSSMIPM-UHFFFAOYSA-N
XLogP3.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
CID 62338137
[6-(2-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61255694
[6-(2-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 54909715
N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62323489
5-amino-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469664
(1S)-1-[6-(5-fluoro-2-methylphenoxy)-3-pyridinyl]ethanol
CID 102989853
5-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyridin-3-amine
CID 62476910
1,2,3,4-tetramethyl-5-(2-methyl-5-propan-2-ylphenoxy)benzene
CID 71382787
5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80875224
4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-5-nitropyrimidine
CID 62102170
2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene
CID 81005711
1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene
CID 81005193

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine?
The IUPAC name of 4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine (CID 113305641) is 4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine.
What is the SMILES notation for 4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine?
The canonical SMILES for 4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine is Cc1ccc(C(C)C)cc1Oc1cc(F)ncn1.
What is the InChIKey of 4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine?
The InChIKey is GQJFVOMTSSMIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9(2)11-5-4-10(3)12(6-11)18-14-7-13(15)16-8-17-14/h4-9H,1-3H3.
What are the key properties of 4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine?
4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine has a molecular weight of 246.28 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine is sourced from PubChem (CID 113305641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).