N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine

C15H18FN3 — CID 80945378

IUPACN-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H18FN3/c1-3-6-14-18-13(10-15(19-14)17-4-2)11-7-5-8-12(16)9-11/h5,7-10H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyCAOXSOJQLKFWEN-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.67
Rot. Bonds5

About N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine

N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine (PubChem CID 80945378) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine
PubChem CID80945378
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H18FN3/c1-3-6-14-18-13(10-15(19-14)17-4-2)11-7-5-8-12(16)9-11/h5,7-10H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyCAOXSOJQLKFWEN-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine
CID 80936579
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80940455
N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine
CID 80946069
6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281
6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80942361
6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine
CID 82804327
6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine
CID 80939152
6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 113324696
N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine
CID 80939393
6-(3-fluorophenyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716586
N-methyl-6-phenyl-2-propylpyrimidin-4-amine
CID 55045530
2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine
CID 116546086

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine (CID 80945378) is N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine is CCCc1nc(NCC)cc(-c2cccc(F)c2)n1.
What is the InChIKey of N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine?
The InChIKey is CAOXSOJQLKFWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-3-6-14-18-13(10-15(19-14)17-4-2)11-7-5-8-12(16)9-11/h5,7-10H,3-4,6H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine?
N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80945378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).