N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine

C14H14F2N4 — CID 9013664

IUPACN-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESC/C(=N/Nc1nc(C)cc(C)n1)c1cc(F)ccc1F
InChIInChI=1S/C14H14F2N4/c1-8-6-9(2)18-14(17-8)20-19-10(3)12-7-11(15)4-5-13(12)16/h4-7H,1-3H3,(H,17,18,20)/b19-10-
InChIKeyXNVHOGSHGXRDCL-GRSHGNNSSA-N
MW276.29 g/mol
LogP3.21
Rot. Bonds3

About N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine

N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 9013664) has the molecular formula C14H14F2N4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
PubChem CID9013664
Molecular FormulaC14H14F2N4
Molecular Weight276.29 g/mol
Exact Mass276.12
IUPAC NameN-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESC/C(=N/Nc1nc(C)cc(C)n1)c1cc(F)ccc1F
InChIInChI=1S/C14H14F2N4/c1-8-6-9(2)18-14(17-8)20-19-10(3)12-7-11(15)4-5-13(12)16/h4-7H,1-3H3,(H,17,18,20)/b19-10-
InChIKeyXNVHOGSHGXRDCL-GRSHGNNSSA-N
XLogP3.21
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4,6-Diphenylpyrimidin-2-amine
CID 619024
Ferimzone
CID 9013425
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
N-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 6323091
{4-[(4,6-Dimethyl-pyrimidin-2-yl)-hydrazonomethyl]-phenyl}-diethyl-amine
CID 9585548
N-benzyl-4-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-6-methylpyrimidin-2-amine
CID 9629464
2-[(2E)-2-(4-chlorobenzylidene)hydrazinyl]-4,6-dimethylpyrimidine
CID 9633328
2-Hydrazino-4-(4-methylphenyl)-6-phenylpyrimidine
CID 780062
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 5722265
N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine
CID 252116
N4,N4-Dimethyl-6-phenylpyrimidine-2,4-diamine
CID 677167

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine (CID 9013664) is N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine is C/C(=N/Nc1nc(C)cc(C)n1)c1cc(F)ccc1F.
What is the InChIKey of N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is XNVHOGSHGXRDCL-GRSHGNNSSA-N. The full InChI is InChI=1S/C14H14F2N4/c1-8-6-9(2)18-14(17-8)20-19-10(3)12-7-11(15)4-5-13(12)16/h4-7H,1-3H3,(H,17,18,20)/b19-10-.
What are the key properties of N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 276.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 9013664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).