4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine

C11H8ClF3N4 — CID 79916848

IUPAC4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H8ClF3N4/c12-6-1-2-9(7(3-6)11(13,14)15)19-10-8(16)4-17-5-18-10/h1-5H,16H2,(H,17,18,19)
InChIKeyJFABKKHENOQKGD-UHFFFAOYSA-N
MW288.66 g/mol
LogP3.47
Rot. Bonds2

About 4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine

4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine (PubChem CID 79916848) has the molecular formula C11H8ClF3N4 and a molecular weight of 288.66 g/mol. Its IUPAC name is 4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
PubChem CID79916848
Molecular FormulaC11H8ClF3N4
Molecular Weight288.66 g/mol
Exact Mass288.04
IUPAC Name4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H8ClF3N4/c12-6-1-2-9(7(3-6)11(13,14)15)19-10-8(16)4-17-5-18-10/h1-5H,16H2,(H,17,18,19)
InChIKeyJFABKKHENOQKGD-UHFFFAOYSA-N
XLogP3.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine
CID 103517614
4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80768561
5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532239
2-[(5-aminopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 79918602
5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
CID 80911957
5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79076572
N-[4-chloro-2-(trifluoromethyl)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 28695467
4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine
CID 107526809
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-difluorobenzene-1,4-diamine
CID 63402036
2-chloro-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylbenzene-1,4-diamine
CID 115554494
4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80911630
6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146769

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine (CID 79916848) is 4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine is Nc1cncnc1Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine?
The InChIKey is JFABKKHENOQKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4/c12-6-1-2-9(7(3-6)11(13,14)15)19-10-8(16)4-17-5-18-10/h1-5H,16H2,(H,17,18,19).
What are the key properties of 4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine?
4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine has a molecular weight of 288.66 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 79916848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).