6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine

C18H15F3N4 — CID 91258180

IUPAC6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine
SMILESCc1cc(NCCc2cccnc2)nc(-c2cc(F)cc(F)c2F)n1
InChIInChI=1S/C18H15F3N4/c1-11-7-16(23-6-4-12-3-2-5-22-10-12)25-18(24-11)14-8-13(19)9-15(20)17(14)21/h2-3,5,7-10H,4,6H2,1H3,(H,23,24,25)
InChIKeyUZBCCRWLBPEHLQ-UHFFFAOYSA-N
MW344.34 g/mol
LogP3.92
Rot. Bonds5

About 6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine

6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine (PubChem CID 91258180) has the molecular formula C18H15F3N4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine
PubChem CID91258180
Molecular FormulaC18H15F3N4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine
SMILESCc1cc(NCCc2cccnc2)nc(-c2cc(F)cc(F)c2F)n1
InChIInChI=1S/C18H15F3N4/c1-11-7-16(23-6-4-12-3-2-5-22-10-12)25-18(24-11)14-8-13(19)9-15(20)17(14)21/h2-3,5,7-10H,4,6H2,1H3,(H,23,24,25)
InChIKeyUZBCCRWLBPEHLQ-UHFFFAOYSA-N
XLogP3.92
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 47053519
2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 55169588
2-(4-chloro-2-fluorophenyl)-6-methyl-N-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine
CID 10133059
2-(4-bromo-2-fluorophenyl)-6-methyl-N-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine
CID 66553904
6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 50957101
2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one
CID 137015427
2-cyclopropyl-6-N-methyl-4-N-(2-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968028
2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline
CID 63265128
4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine
CID 80791747
2,6-dichloro-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 59258790
6-N-ethyl-2-N-(2-pyridin-3-ylethyl)pyrazine-2,6-diamine
CID 78990149
5-bromo-2,4-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 102853347

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine (CID 91258180) is 6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine is Cc1cc(NCCc2cccnc2)nc(-c2cc(F)cc(F)c2F)n1.
What is the InChIKey of 6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine?
The InChIKey is UZBCCRWLBPEHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4/c1-11-7-16(23-6-4-12-3-2-5-22-10-12)25-18(24-11)14-8-13(19)9-15(20)17(14)21/h2-3,5,7-10H,4,6H2,1H3,(H,23,24,25).
What are the key properties of 6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine?
6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine has a molecular weight of 344.34 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 91258180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).