4-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyrimidine-2,5-diamine

C11H10ClF3N4 — CID 66720122

IUPAC4-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyrimidine-2,5-diamine
SMILESNC1=CNC(N)=NC1(c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H10ClF3N4/c12-7-3-1-2-6(4-7)10(11(13,14)15)8(16)5-18-9(17)19-10/h1-5H,16H2,(H3,17,18,19)
InChIKeyMLEWZWUSOLEOCY-UHFFFAOYSA-N
MW290.68 g/mol
LogP1.82
Rot. Bonds1

About 4-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyrimidine-2,5-diamine

4-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyrimidine-2,5-diamine (PubChem CID 66720122) has the molecular formula C11H10ClF3N4 and a molecular weight of 290.68 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyrimidine-2,5-diamine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyrimidine-2,5-diamine
PubChem CID66720122
Molecular FormulaC11H10ClF3N4
Molecular Weight290.68 g/mol
Exact Mass290.05
IUPAC Name4-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyrimidine-2,5-diamine
SMILESNC1=CNC(N)=NC1(c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H10ClF3N4/c12-7-3-1-2-6(4-7)10(11(13,14)15)8(16)5-18-9(17)19-10/h1-5H,16H2,(H3,17,18,19)
InChIKeyMLEWZWUSOLEOCY-UHFFFAOYSA-N
XLogP1.82
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine
CID 69003724
4-(3-Chloro-4-fluorophenyl)-6-chloropyrimidin-4-ylamine
CID 86638089
4-(3-chloro-2-methylphenyl)-6-N-(2-fluoroethyl)-1,4-dihydropyrimidine-2,6-diamine
CID 118567960
6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)-1,4-dihydropyrimidine-2,4-diamine
CID 118567972
4-(2,3-dichlorophenyl)-6-N-(2,2,2-trifluoroethyl)-1,4-dihydropyrimidine-2,6-diamine
CID 118568059
4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4,5-diamine;hydrochloride
CID 143821798
4-[(3-chloro-2,6-difluorophenyl)methyl]-1H-pyrimidine-4,5-diamine
CID 150007306
4-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 154407188
4-(3-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 154502484
4-[2-(2-chloro-6-fluorophenyl)ethyl]-1H-pyrimidine-2,4-diamine
CID 154514327
4-(3-chlorophenyl)-6-N-(difluoromethyl)-1,4-dihydropyrimidine-2,6-diamine
CID 162596381
2-(3-chlorophenyl)-1H-pyridine-2,3-diamine
CID 68280052

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyrimidine-2,5-diamine?
The IUPAC name of 4-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyrimidine-2,5-diamine (CID 66720122) is 4-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyrimidine-2,5-diamine.
What is the SMILES notation for 4-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyrimidine-2,5-diamine?
The canonical SMILES for 4-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyrimidine-2,5-diamine is NC1=CNC(N)=NC1(c1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of 4-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyrimidine-2,5-diamine?
The InChIKey is MLEWZWUSOLEOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4/c12-7-3-1-2-6(4-7)10(11(13,14)15)8(16)5-18-9(17)19-10/h1-5H,16H2,(H3,17,18,19).
What are the key properties of 4-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyrimidine-2,5-diamine?
4-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyrimidine-2,5-diamine has a molecular weight of 290.68 g/mol, XLogP of 1.82, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyrimidine-2,5-diamine is sourced from PubChem (CID 66720122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).