4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine

C18H14ClF3N4 — CID 112926975

IUPAC4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H14ClF3N4/c1-11-9-16(26-17(23-11)25-12-5-3-2-4-6-12)24-13-7-8-15(19)14(10-13)18(20,21)22/h2-10H,1H3,(H2,23,24,25,26)
InChIKeyDPBYSSNVTVUDKF-UHFFFAOYSA-N
MW378.79 g/mol
LogP5.94
Rot. Bonds4

About 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine

4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112926975) has the molecular formula C18H14ClF3N4 and a molecular weight of 378.79 g/mol. Its IUPAC name is 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112926975
Molecular FormulaC18H14ClF3N4
Molecular Weight378.79 g/mol
Exact Mass378.09
IUPAC Name4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H14ClF3N4/c1-11-9-16(26-17(23-11)25-12-5-3-2-4-6-12)24-13-7-8-15(19)14(10-13)18(20,21)22/h2-10H,1H3,(H2,23,24,25,26)
InChIKeyDPBYSSNVTVUDKF-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

2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112924846
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906981
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112913100
4-N-(4-chlorophenyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112929807
2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926861
6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112927359
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924300
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912741
6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117083923
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910130
4-N-(3,4-dichlorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930759
4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929426

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine (CID 112926975) is 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is DPBYSSNVTVUDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4/c1-11-9-16(26-17(23-11)25-12-5-3-2-4-6-12)24-13-7-8-15(19)14(10-13)18(20,21)22/h2-10H,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-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 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112926975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).