N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine

C12H8ClF3N4 — CID 74397084

IUPACN-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NN=Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H8ClF3N4/c13-9-3-1-8(2-4-9)7-18-20-11-17-6-5-10(19-11)12(14,15)16/h1-7H,(H,17,19,20)
InChIKeyQPKAWEMJYPPACR-UHFFFAOYSA-N
MW300.67 g/mol
LogP3.59
Rot. Bonds3

About N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine

N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 74397084) has the molecular formula C12H8ClF3N4 and a molecular weight of 300.67 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID74397084
Molecular FormulaC12H8ClF3N4
Molecular Weight300.67 g/mol
Exact Mass300.04
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NN=Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H8ClF3N4/c13-9-3-1-8(2-4-9)7-18-20-11-17-6-5-10(19-11)12(14,15)16/h1-7H,(H,17,19,20)
InChIKeyQPKAWEMJYPPACR-UHFFFAOYSA-N
XLogP3.59
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.67
LogP ≤ 53.59
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

4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60726904
N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 154454877
N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
CID 3835429
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
2-N-[(4-chlorophenyl)methylideneamino]-6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 91962055
2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine
CID 16736452
2-[[4,6-bis[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 4065015
7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine
CID 3976117
N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 142777197
4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine
CID 86279724
N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine
CID 7188525

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine (CID 74397084) is N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NN=Cc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QPKAWEMJYPPACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N4/c13-9-3-1-8(2-4-9)7-18-20-11-17-6-5-10(19-11)12(14,15)16/h1-7H,(H,17,19,20).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 300.67 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 74397084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).