2-(2,3-dimethylbutyl)-5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine

C19H25FN2 — CID 123597725

IUPAC2-(2,3-dimethylbutyl)-5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine
SMILESCc1nc(CC(C)C(C)C)nc(C)c1Cc1ccc(F)cc1
InChIInChI=1S/C19H25FN2/c1-12(2)13(3)10-19-21-14(4)18(15(5)22-19)11-16-6-8-17(20)9-7-16/h6-9,12-13H,10-11H2,1-5H3
InChIKeyDKHYGFKFGNWNMZ-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.66
Rot. Bonds5

About 2-(2,3-dimethylbutyl)-5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine

2-(2,3-dimethylbutyl)-5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine (PubChem CID 123597725) has the molecular formula C19H25FN2 and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-(2,3-dimethylbutyl)-5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(2,3-dimethylbutyl)-5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine
PubChem CID123597725
Molecular FormulaC19H25FN2
Molecular Weight300.42 g/mol
Exact Mass300.20
IUPAC Name2-(2,3-dimethylbutyl)-5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine
SMILESCc1nc(CC(C)C(C)C)nc(C)c1Cc1ccc(F)cc1
InChIInChI=1S/C19H25FN2/c1-12(2)13(3)10-19-21-14(4)18(15(5)22-19)11-16-6-8-17(20)9-7-16/h6-9,12-13H,10-11H2,1-5H3
InChIKeyDKHYGFKFGNWNMZ-UHFFFAOYSA-N
XLogP4.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744269
5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62191963
2-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 62097622
5-[(4-fluorophenyl)methyl]-3-propan-2-yl-1H-1,2,4-triazole
CID 61337115
2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid
CID 62745063
3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
CID 65294050
2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene
CID 158519534
3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273338
5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1H-pyrazole
CID 141224167
5-bromo-2-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481027
1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine
CID 62757363
2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 82479364

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutyl)-5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-(2,3-dimethylbutyl)-5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine (CID 123597725) is 2-(2,3-dimethylbutyl)-5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(2,3-dimethylbutyl)-5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(2,3-dimethylbutyl)-5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine is Cc1nc(CC(C)C(C)C)nc(C)c1Cc1ccc(F)cc1.
What is the InChIKey of 2-(2,3-dimethylbutyl)-5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine?
The InChIKey is DKHYGFKFGNWNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2/c1-12(2)13(3)10-19-21-14(4)18(15(5)22-19)11-16-6-8-17(20)9-7-16/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of 2-(2,3-dimethylbutyl)-5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine?
2-(2,3-dimethylbutyl)-5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine has a molecular weight of 300.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutyl)-5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 123597725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).