5-[[4-[4-(trifluoromethyl)phenyl]indol-1-yl]methyl]pyrimidine-2,4-diamine

C20H16F3N5 — CID 134153211

IUPAC5-[[4-[4-(trifluoromethyl)phenyl]indol-1-yl]methyl]pyrimidine-2,4-diamine
SMILESNc1ncc(Cn2ccc3c(-c4ccc(C(F)(F)F)cc4)cccc32)c(N)n1
InChIInChI=1S/C20H16F3N5/c21-20(22,23)14-6-4-12(5-7-14)15-2-1-3-17-16(15)8-9-28(17)11-13-10-26-19(25)27-18(13)24/h1-10H,11H2,(H4,24,25,26,27)
InChIKeyRHMTUQHEJULJGL-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.33
Rot. Bonds3

About 5-[[4-[4-(trifluoromethyl)phenyl]indol-1-yl]methyl]pyrimidine-2,4-diamine

5-[[4-[4-(trifluoromethyl)phenyl]indol-1-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 134153211) has the molecular formula C20H16F3N5 and a molecular weight of 383.38 g/mol. Its IUPAC name is 5-[[4-[4-(trifluoromethyl)phenyl]indol-1-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[4-[4-(trifluoromethyl)phenyl]indol-1-yl]methyl]pyrimidine-2,4-diamine
PubChem CID134153211
Molecular FormulaC20H16F3N5
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name5-[[4-[4-(trifluoromethyl)phenyl]indol-1-yl]methyl]pyrimidine-2,4-diamine
SMILESNc1ncc(Cn2ccc3c(-c4ccc(C(F)(F)F)cc4)cccc32)c(N)n1
InChIInChI=1S/C20H16F3N5/c21-20(22,23)14-6-4-12(5-7-14)15-2-1-3-17-16(15)8-9-28(17)11-13-10-26-19(25)27-18(13)24/h1-10H,11H2,(H4,24,25,26,27)
InChIKeyRHMTUQHEJULJGL-UHFFFAOYSA-N
XLogP4.33
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(trifluoromethyl)phenyl]indol-1-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[4-[4-(trifluoromethyl)phenyl]indol-1-yl]methyl]pyrimidine-2,4-diamine (CID 134153211) is 5-[[4-[4-(trifluoromethyl)phenyl]indol-1-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[4-[4-(trifluoromethyl)phenyl]indol-1-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[4-[4-(trifluoromethyl)phenyl]indol-1-yl]methyl]pyrimidine-2,4-diamine is Nc1ncc(Cn2ccc3c(-c4ccc(C(F)(F)F)cc4)cccc32)c(N)n1.
What is the InChIKey of 5-[[4-[4-(trifluoromethyl)phenyl]indol-1-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is RHMTUQHEJULJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5/c21-20(22,23)14-6-4-12(5-7-14)15-2-1-3-17-16(15)8-9-28(17)11-13-10-26-19(25)27-18(13)24/h1-10H,11H2,(H4,24,25,26,27).
What are the key properties of 5-[[4-[4-(trifluoromethyl)phenyl]indol-1-yl]methyl]pyrimidine-2,4-diamine?
5-[[4-[4-(trifluoromethyl)phenyl]indol-1-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 383.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(trifluoromethyl)phenyl]indol-1-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 134153211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).