6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine

C18H11F5N4 — CID 2842279

IUPAC6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine
SMILESCc1cc(NN=Cc2c(F)c(F)c(F)c(F)c2F)nc(-c2ccccc2)n1
InChIInChI=1S/C18H11F5N4/c1-9-7-12(26-18(25-9)10-5-3-2-4-6-10)27-24-8-11-13(19)15(21)17(23)16(22)14(11)20/h2-8H,1H3,(H,25,26,27)
InChIKeyUDDNIPXTYVMHOG-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.59
Rot. Bonds4

About 6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine

6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine (PubChem CID 2842279) has the molecular formula C18H11F5N4 and a molecular weight of 378.30 g/mol. Its IUPAC name is 6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine
PubChem CID2842279
Molecular FormulaC18H11F5N4
Molecular Weight378.30 g/mol
Exact Mass378.09
IUPAC Name6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine
SMILESCc1cc(NN=Cc2c(F)c(F)c(F)c(F)c2F)nc(-c2ccccc2)n1
InChIInChI=1S/C18H11F5N4/c1-9-7-12(26-18(25-9)10-5-3-2-4-6-10)27-24-8-11-13(19)15(21)17(23)16(22)14(11)20/h2-8H,1H3,(H,25,26,27)
InChIKeyUDDNIPXTYVMHOG-UHFFFAOYSA-N
XLogP4.59
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338887
6-chloro-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyrimidin-4-amine
CID 2842018
N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 5332811
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine
CID 5332898
4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136690415
4,6-dimethyl-2-phenylpyrimidine;methane
CID 159318650
N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 5338896
4-[(Z)-[(2,6-diphenylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 136767762
1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135533004
2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 3092887
2-(4-bromophenyl)-N-[(E)-(3-fluorophenyl)methylideneamino]-6-phenylpyrimidin-4-amine
CID 5338828
2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135472541

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine (CID 2842279) is 6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine is Cc1cc(NN=Cc2c(F)c(F)c(F)c(F)c2F)nc(-c2ccccc2)n1.
What is the InChIKey of 6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine?
The InChIKey is UDDNIPXTYVMHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N4/c1-9-7-12(26-18(25-9)10-5-3-2-4-6-10)27-24-8-11-13(19)15(21)17(23)16(22)14(11)20/h2-8H,1H3,(H,25,26,27).
What are the key properties of 6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine?
6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine has a molecular weight of 378.30 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 2842279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).