5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine

C15H18FN3 — CID 62191963

IUPAC5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(Cc2ccc(F)cc2)nc1NC
InChIInChI=1S/C15H18FN3/c1-4-13-10(2)18-14(19-15(13)17-3)9-11-5-7-12(16)8-6-11/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyHSMUUZRDTVKQFQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.12
Rot. Bonds4

About 5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine

5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 62191963) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID62191963
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(Cc2ccc(F)cc2)nc1NC
InChIInChI=1S/C15H18FN3/c1-4-13-10(2)18-14(19-15(13)17-3)9-11-5-7-12(16)8-6-11/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyHSMUUZRDTVKQFQ-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744269
[5-ethyl-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-yl]hydrazine
CID 55061478
5-ethyl-N,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
CID 62693840
2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 79412709
5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191080
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982081
5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62191599
2-[(3,5-difluorophenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 62192538
2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid
CID 62745063
4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine
CID 54898228
[2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 62594082
2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 66423893

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine (CID 62191963) is 5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine is CCc1c(C)nc(Cc2ccc(F)cc2)nc1NC.
What is the InChIKey of 5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is HSMUUZRDTVKQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-4-13-10(2)18-14(19-15(13)17-3)9-11-5-7-12(16)8-6-11/h5-8H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of 5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 62191963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).