N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine

C15H14ClF3N4O — CID 112857141

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Cl)c(Nc2cc(N3CCOCC3)ncn2)c1
InChIInChI=1S/C15H14ClF3N4O/c16-11-2-1-10(15(17,18)19)7-12(11)22-13-8-14(21-9-20-13)23-3-5-24-6-4-23/h1-2,7-9H,3-6H2,(H,20,21,22)
InChIKeyVDKOLZPUKQUMES-UHFFFAOYSA-N
MW358.75 g/mol
LogP3.73
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine

N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 112857141) has the molecular formula C15H14ClF3N4O and a molecular weight of 358.75 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID112857141
Molecular FormulaC15H14ClF3N4O
Molecular Weight358.75 g/mol
Exact Mass358.08
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Cl)c(Nc2cc(N3CCOCC3)ncn2)c1
InChIInChI=1S/C15H14ClF3N4O/c16-11-2-1-10(15(17,18)19)7-12(11)22-13-8-14(21-9-20-13)23-3-5-24-6-4-23/h1-2,7-9H,3-6H2,(H,20,21,22)
InChIKeyVDKOLZPUKQUMES-UHFFFAOYSA-N
XLogP3.73
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282579
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 23479619
N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857173
N-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282510
4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282533
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282517
6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112864664
N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857127
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184877
[2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 109252168
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
CID 113192860

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine (CID 112857141) is N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine is FC(F)(F)c1ccc(Cl)c(Nc2cc(N3CCOCC3)ncn2)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is VDKOLZPUKQUMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O/c16-11-2-1-10(15(17,18)19)7-12(11)22-13-8-14(21-9-20-13)23-3-5-24-6-4-23/h1-2,7-9H,3-6H2,(H,20,21,22).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine?
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 358.75 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 112857141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).