N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine

C15H16F3N3 — CID 80939393

IUPACN-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(-c2ccc(F)c(F)c2F)n1
InChIInChI=1S/C15H16F3N3/c1-3-5-12-20-11(8-13(21-12)19-4-2)9-6-7-10(16)15(18)14(9)17/h6-8H,3-5H2,1-2H3,(H,19,20,21)
InChIKeySIMPCXXGOKFTJT-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.95
Rot. Bonds5

About N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine

N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine (PubChem CID 80939393) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine
PubChem CID80939393
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(-c2ccc(F)c(F)c2F)n1
InChIInChI=1S/C15H16F3N3/c1-3-5-12-20-11(8-13(21-12)19-4-2)9-6-7-10(16)15(18)14(9)17/h6-8H,3-5H2,1-2H3,(H,19,20,21)
InChIKeySIMPCXXGOKFTJT-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine
CID 82804327
N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine
CID 80946069
6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine
CID 80936764
N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80945378
6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 82822927
6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946081
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940121
6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 107514561
N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 80946552
6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 106763638
6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine
CID 80939152
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine (CID 80939393) is N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine is CCCc1nc(NCC)cc(-c2ccc(F)c(F)c2F)n1.
What is the InChIKey of N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine?
The InChIKey is SIMPCXXGOKFTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-3-5-12-20-11(8-13(21-12)19-4-2)9-6-7-10(16)15(18)14(9)17/h6-8H,3-5H2,1-2H3,(H,19,20,21).
What are the key properties of N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine?
N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine has a molecular weight of 295.31 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 80939393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).