5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C18H14ClF3N4 — CID 156768832

IUPAC5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2ncc(Cl)c(Nc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C18H14ClF3N4/c1-11-5-7-13(8-6-11)25-17-23-10-15(19)16(26-17)24-14-4-2-3-12(9-14)18(20,21)22/h2-10H,1H3,(H2,23,24,25,26)
InChIKeyWWXQIPDLIYOUOO-UHFFFAOYSA-N
MW378.79 g/mol
LogP5.94
Rot. Bonds4

About 5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 156768832) has the molecular formula C18H14ClF3N4 and a molecular weight of 378.79 g/mol. Its IUPAC name is 5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID156768832
Molecular FormulaC18H14ClF3N4
Molecular Weight378.79 g/mol
Exact Mass378.09
IUPAC Name5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2ncc(Cl)c(Nc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C18H14ClF3N4/c1-11-5-7-13(8-6-11)25-17-23-10-15(19)16(26-17)24-14-4-2-3-12(9-14)18(20,21)22/h2-10H,1H3,(H2,23,24,25,26)
InChIKeyWWXQIPDLIYOUOO-UHFFFAOYSA-N
XLogP5.94
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.79
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[5-chloro-4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 164619885
5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine
CID 156768854
5-chloro-2-N-(2-pyridin-4-ylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 164614922
5-chloro-2-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768828
5-chloro-2-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80755325
6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine
CID 5053700
5-methyl-2-N-propan-2-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 143939193
5-chloro-2-N-[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 164618324
2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 79632159
2-N-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-5-chloro-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 164615111
4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 164610376
4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 167660551

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 156768832) is 5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Cc1ccc(Nc2ncc(Cl)c(Nc3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is WWXQIPDLIYOUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4/c1-11-5-7-13(8-6-11)25-17-23-10-15(19)16(26-17)24-14-4-2-3-12(9-14)18(20,21)22/h2-10H,1H3,(H2,23,24,25,26).
What are the key properties of 5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 378.79 g/mol, XLogP of 5.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 156768832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).