6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine

C13H12ClFN4 — CID 2842007

IUPAC6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine
SMILESCC(=NNc1cc(Cl)nc(C)n1)c1ccc(F)cc1
InChIInChI=1S/C13H12ClFN4/c1-8(10-3-5-11(15)6-4-10)18-19-13-7-12(14)16-9(2)17-13/h3-7H,1-2H3,(H,16,17,19)
InChIKeyQKNBBCPWFWDTBX-UHFFFAOYSA-N
MW278.72 g/mol
LogP3.41
Rot. Bonds3

About 6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine

6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine (PubChem CID 2842007) has the molecular formula C13H12ClFN4 and a molecular weight of 278.72 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine
PubChem CID2842007
Molecular FormulaC13H12ClFN4
Molecular Weight278.72 g/mol
Exact Mass278.07
IUPAC Name6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine
SMILESCC(=NNc1cc(Cl)nc(C)n1)c1ccc(F)cc1
InChIInChI=1S/C13H12ClFN4/c1-8(10-3-5-11(15)6-4-10)18-19-13-7-12(14)16-9(2)17-13/h3-7H,1-2H3,(H,16,17,19)
InChIKeyQKNBBCPWFWDTBX-UHFFFAOYSA-N
XLogP3.41
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 53.41
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

6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine
CID 72577519
6-chloro-2-N-[1-(4-fluorophenyl)ethylideneamino]pyrimidine-2,4-diamine
CID 2842124
N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
CID 73320073
N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 2848311
6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 59846647
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine
CID 6145584
3-chloro-N-[1-(4-fluorophenyl)ethylideneamino]pyrazin-2-amine
CID 2842160
6-(4-methoxyphenyl)-2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 16747550
4-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-6-phenylpyrimidin-2-amine
CID 7451972
2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 4079235
2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 5368217
4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135758857

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine (CID 2842007) is 6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine is CC(=NNc1cc(Cl)nc(C)n1)c1ccc(F)cc1.
What is the InChIKey of 6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine?
The InChIKey is QKNBBCPWFWDTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4/c1-8(10-3-5-11(15)6-4-10)18-19-13-7-12(14)16-9(2)17-13/h3-7H,1-2H3,(H,16,17,19).
What are the key properties of 6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine?
6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine has a molecular weight of 278.72 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 2842007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).