5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]pyrimidine-2,4-diamine

C14H16F3N5O2S — CID 130474373

IUPAC5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]pyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1SC(F)(F)F
InChIInChI=1S/C14H16F3N5O2S/c1-6(2)10-7(24-8-5-20-13(19)22-11(8)18)4-9(12(21-10)23-3)25-14(15,16)17/h4-6H,1-3H3,(H4,18,19,20,22)
InChIKeyJXDYEWFZMMHKLJ-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.57
Rot. Bonds5

About 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]pyrimidine-2,4-diamine

5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]pyrimidine-2,4-diamine (PubChem CID 130474373) has the molecular formula C14H16F3N5O2S and a molecular weight of 375.38 g/mol. Its IUPAC name is 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]pyrimidine-2,4-diamine
PubChem CID130474373
Molecular FormulaC14H16F3N5O2S
Molecular Weight375.38 g/mol
Exact Mass375.10
IUPAC Name5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]pyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1SC(F)(F)F
InChIInChI=1S/C14H16F3N5O2S/c1-6(2)10-7(24-8-5-20-13(19)22-11(8)18)4-9(12(21-10)23-3)25-14(15,16)17/h4-6H,1-3H3,(H4,18,19,20,22)
InChIKeyJXDYEWFZMMHKLJ-UHFFFAOYSA-N
XLogP3.57
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]pyrimidine-2,4-diamine 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

US10155760, Example 139
CID 129279900
US10544120, Example 319
CID 135282515
US10155760, Example 150
CID 129279903
US10544120, Example 359
CID 135282554
US10544120, Example 318
CID 135282889
US10544120, Example 279
CID 135390514
2-[1-(2,3-Dihydrofuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 18799801
5-(2-(2,2-Difluorocyclopropyl)-6-(methylthio)pyrimidin-4-yl)-3-(difluoromethoxy)pyridin-2-amine
CID 117679168
5-[[2-(Difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419792
5-[[4-(Difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420289
4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]pyridin-2-yl]-2-methylpyrimidine
CID 118429877
1-[2-(Difluoromethyl)-6-(2-methylpyrimidin-4-yl)pyridin-3-yl]oxy-2,4-dimethylpentan-2-amine
CID 124036689

Frequently Asked Questions

What is the IUPAC name of 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]pyrimidine-2,4-diamine (CID 130474373) is 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]pyrimidine-2,4-diamine is COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1SC(F)(F)F.
What is the InChIKey of 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]pyrimidine-2,4-diamine?
The InChIKey is JXDYEWFZMMHKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2S/c1-6(2)10-7(24-8-5-20-13(19)22-11(8)18)4-9(12(21-10)23-3)25-14(15,16)17/h4-6H,1-3H3,(H4,18,19,20,22).
What are the key properties of 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]pyrimidine-2,4-diamine?
5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]pyrimidine-2,4-diamine has a molecular weight of 375.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 130474373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).