4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C11H8ClF3N4 — CID 106770133

IUPAC4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccc(Cl)cc2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H8ClF3N4/c12-6-1-3-7(4-2-6)17-9-5-8(16)18-10(19-9)11(13,14)15/h1-5H,(H3,16,17,18,19)
InChIKeyULUQROQIAZNIOA-UHFFFAOYSA-N
MW288.66 g/mol
LogP3.47
Rot. Bonds2

About 4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106770133) has the molecular formula C11H8ClF3N4 and a molecular weight of 288.66 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106770133
Molecular FormulaC11H8ClF3N4
Molecular Weight288.66 g/mol
Exact Mass288.04
IUPAC Name4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccc(Cl)cc2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H8ClF3N4/c12-6-1-3-7(4-2-6)17-9-5-8(16)18-10(19-9)11(13,14)15/h1-5H,(H3,16,17,18,19)
InChIKeyULUQROQIAZNIOA-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

4-N-(4-chloro-3-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771194
4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770731
4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769991
4-N-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772502
4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772407
4-N-(2,6-dichlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772319
4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769978
4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770049
4-N-(3-bromo-4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771981
6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 87998594
4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772648
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-chlorobenzonitrile
CID 106772546

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106770133) is 4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is Nc1cc(Nc2ccc(Cl)cc2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is ULUQROQIAZNIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4/c12-6-1-3-7(4-2-6)17-9-5-8(16)18-10(19-9)11(13,14)15/h1-5H,(H3,16,17,18,19).
What are the key properties of 4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-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-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106770133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).