6-(1H-indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C19H13F3N4O — CID 42635640

IUPAC6-(1H-indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2cc(-c3c[nH]c4ccccc34)ncn2)cc1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)27-13-7-5-12(6-8-13)26-18-9-17(24-11-25-18)15-10-23-16-4-2-1-3-14(15)16/h1-11,23H,(H,24,25,26)
InChIKeyMHLMKMHXIBHQDX-UHFFFAOYSA-N
MW370.33 g/mol
LogP5.27
Rot. Bonds4

About 6-(1H-indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

6-(1H-indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 42635640) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is 6-(1H-indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1H-indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID42635640
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name6-(1H-indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2cc(-c3c[nH]c4ccccc34)ncn2)cc1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)27-13-7-5-12(6-8-13)26-18-9-17(24-11-25-18)15-10-23-16-4-2-1-3-14(15)16/h1-11,23H,(H,24,25,26)
InChIKeyMHLMKMHXIBHQDX-UHFFFAOYSA-N
XLogP5.27
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.33
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-(1H-indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 42635640) is 6-(1H-indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(1H-indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-(1H-indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is FC(F)(F)Oc1ccc(Nc2cc(-c3c[nH]c4ccccc34)ncn2)cc1.
What is the InChIKey of 6-(1H-indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is MHLMKMHXIBHQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c20-19(21,22)27-13-7-5-12(6-8-13)26-18-9-17(24-11-25-18)15-10-23-16-4-2-1-3-14(15)16/h1-11,23H,(H,24,25,26).
What are the key properties of 6-(1H-indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
6-(1H-indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 370.33 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 42635640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).