ethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine

C10H17FN2 — CID 177328154

IUPACethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine
SMILESCC.Cc1ncc(F)c(C(C)C)n1
InChIInChI=1S/C8H11FN2.C2H6/c1-5(2)8-7(9)4-10-6(3)11-8;1-2/h4-5H,1-3H3;1-2H3
InChIKeyRZCHIMUXSHEZES-UHFFFAOYSA-N
MW184.26 g/mol
LogP3.07
Rot. Bonds1

About ethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine

ethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine (PubChem CID 177328154) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is ethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Nameethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine
PubChem CID177328154
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Nameethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine
SMILESCC.Cc1ncc(F)c(C(C)C)n1
InChIInChI=1S/C8H11FN2.C2H6/c1-5(2)8-7(9)4-10-6(3)11-8;1-2/h4-5H,1-3H3;1-2H3
InChIKeyRZCHIMUXSHEZES-UHFFFAOYSA-N
XLogP3.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine?
The IUPAC name of ethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine (CID 177328154) is ethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine.
What is the SMILES notation for ethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine?
The canonical SMILES for ethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine is CC.Cc1ncc(F)c(C(C)C)n1.
What is the InChIKey of ethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine?
The InChIKey is RZCHIMUXSHEZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2.C2H6/c1-5(2)8-7(9)4-10-6(3)11-8;1-2/h4-5H,1-3H3;1-2H3.
What are the key properties of ethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine?
ethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine has a molecular weight of 184.26 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine is sourced from PubChem (CID 177328154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).