4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine

C14H14F3N3O2 — CID 71898831

IUPAC4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(N(C)Cc2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O2/c1-20(13-18-8-7-12(19-13)21-2)9-10-5-3-4-6-11(10)22-14(15,16)17/h3-8H,9H2,1-2H3
InChIKeyKUTCOLTXUZMNFO-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.02
Rot. Bonds5

About 4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine

4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine (PubChem CID 71898831) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
PubChem CID71898831
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(N(C)Cc2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O2/c1-20(13-18-8-7-12(19-13)21-2)9-10-5-3-4-6-11(10)22-14(15,16)17/h3-8H,9H2,1-2H3
InChIKeyKUTCOLTXUZMNFO-UHFFFAOYSA-N
XLogP3.02
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine (CID 71898831) is 4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine is COc1ccnc(N(C)Cc2ccccc2OC(F)(F)F)n1.
What is the InChIKey of 4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is KUTCOLTXUZMNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-20(13-18-8-7-12(19-13)21-2)9-10-5-3-4-6-11(10)22-14(15,16)17/h3-8H,9H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?
4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 313.28 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 71898831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).