5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine

C15H16ClF3N4O — CID 175798753

IUPAC5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC[C@@H](C)Oc2ccc(C(F)(F)F)cn2)c1Cl
InChIInChI=1S/C15H16ClF3N4O/c1-3-11-13(16)14(23-8-22-11)21-6-9(2)24-12-5-4-10(7-20-12)15(17,18)19/h4-5,7-9H,3,6H2,1-2H3,(H,21,22,23)/t9-/m1/s1
InChIKeyYORLIYQKCRVEEE-SECBINFHSA-N
MW360.77 g/mol
LogP3.99
Rot. Bonds6

About 5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine

5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine (PubChem CID 175798753) has the molecular formula C15H16ClF3N4O and a molecular weight of 360.77 g/mol. Its IUPAC name is 5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine
PubChem CID175798753
Molecular FormulaC15H16ClF3N4O
Molecular Weight360.77 g/mol
Exact Mass360.10
IUPAC Name5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC[C@@H](C)Oc2ccc(C(F)(F)F)cn2)c1Cl
InChIInChI=1S/C15H16ClF3N4O/c1-3-11-13(16)14(23-8-22-11)21-6-9(2)24-12-5-4-10(7-20-12)15(17,18)19/h4-5,7-9H,3,6H2,1-2H3,(H,21,22,23)/t9-/m1/s1
InChIKeyYORLIYQKCRVEEE-SECBINFHSA-N
XLogP3.99
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6-ethyl-N-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131349
5-chloro-N-[2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]-6-ethylpyrimidin-4-amine
CID 90131212
5-chloro-4-[2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aziridin-1-yl]-6-ethylpyrimidine
CID 162513970
N-(5-chloro-6-ethylpyrimidin-4-yl)-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]methanesulfinamide
CID 155471230
5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine
CID 162514041
5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131355
2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
CID 129204089
N-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 66330279
(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine
CID 97179058
5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine
CID 67669579
N-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide
CID 68686216
N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine
CID 117063434

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine (CID 175798753) is 5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine is CCc1ncnc(NC[C@@H](C)Oc2ccc(C(F)(F)F)cn2)c1Cl.
What is the InChIKey of 5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine?
The InChIKey is YORLIYQKCRVEEE-SECBINFHSA-N. The full InChI is InChI=1S/C15H16ClF3N4O/c1-3-11-13(16)14(23-8-22-11)21-6-9(2)24-12-5-4-10(7-20-12)15(17,18)19/h4-5,7-9H,3,6H2,1-2H3,(H,21,22,23)/t9-/m1/s1.
What are the key properties of 5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine?
5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine has a molecular weight of 360.77 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine is sourced from PubChem (CID 175798753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).