6-methyl-2-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]sulfanylpyrimidin-4-amine

C14H14F3N3OS — CID 95676665

IUPAC6-methyl-2-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]sulfanylpyrimidin-4-amine
SMILESCc1cc(N)nc(S[C@H](C)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H14F3N3OS/c1-8-7-12(18)20-13(19-8)22-9(2)10-3-5-11(6-4-10)21-14(15,16)17/h3-7,9H,1-2H3,(H2,18,19,20)/t9-/m1/s1
InChIKeyORVCBIJUSJIJAJ-SECBINFHSA-N
MW329.35 g/mol
LogP4.12
Rot. Bonds4

About 6-methyl-2-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]sulfanylpyrimidin-4-amine

6-methyl-2-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]sulfanylpyrimidin-4-amine (PubChem CID 95676665) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is 6-methyl-2-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]sulfanylpyrimidin-4-amine
PubChem CID95676665
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC Name6-methyl-2-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]sulfanylpyrimidin-4-amine
SMILESCc1cc(N)nc(S[C@H](C)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H14F3N3OS/c1-8-7-12(18)20-13(19-8)22-9(2)10-3-5-11(6-4-10)21-14(15,16)17/h3-7,9H,1-2H3,(H2,18,19,20)/t9-/m1/s1
InChIKeyORVCBIJUSJIJAJ-SECBINFHSA-N
XLogP4.12
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]sulfanylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]sulfanylpyrimidin-4-amine (CID 95676665) is 6-methyl-2-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]sulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]sulfanylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]sulfanylpyrimidin-4-amine is Cc1cc(N)nc(S[C@H](C)c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 6-methyl-2-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]sulfanylpyrimidin-4-amine?
The InChIKey is ORVCBIJUSJIJAJ-SECBINFHSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c1-8-7-12(18)20-13(19-8)22-9(2)10-3-5-11(6-4-10)21-14(15,16)17/h3-7,9H,1-2H3,(H2,18,19,20)/t9-/m1/s1.
What are the key properties of 6-methyl-2-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]sulfanylpyrimidin-4-amine?
6-methyl-2-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]sulfanylpyrimidin-4-amine has a molecular weight of 329.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]sulfanylpyrimidin-4-amine is sourced from PubChem (CID 95676665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).