4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine

C19H14F3N5 — CID 159350665

IUPAC4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2ccc3c(c2)C(c2cccc(C(F)(F)F)c2)=NC3)n1
InChIInChI=1S/C19H14F3N5/c20-19(21,22)13-3-1-2-11(8-13)17-15-9-14(5-4-12(15)10-25-17)26-16-6-7-24-18(23)27-16/h1-9H,10H2,(H3,23,24,26,27)
InChIKeyLHGZDUQXBCRICR-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.17
Rot. Bonds3

About 4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine

4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine (PubChem CID 159350665) has the molecular formula C19H14F3N5 and a molecular weight of 369.35 g/mol. Its IUPAC name is 4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine
PubChem CID159350665
Molecular FormulaC19H14F3N5
Molecular Weight369.35 g/mol
Exact Mass369.12
IUPAC Name4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2ccc3c(c2)C(c2cccc(C(F)(F)F)c2)=NC3)n1
InChIInChI=1S/C19H14F3N5/c20-19(21,22)13-3-1-2-11(8-13)17-15-9-14(5-4-12(15)10-25-17)26-16-6-7-24-18(23)27-16/h1-9H,10H2,(H3,23,24,26,27)
InChIKeyLHGZDUQXBCRICR-UHFFFAOYSA-N
XLogP4.17
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

acetic acid;4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 159350664
4-N-[3-(2-phenylethynyl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 153246984
acetic acid;1-[6-[(2-aminopyrimidin-4-yl)amino]-3H-isoindol-1-yl]-2-phenylethanone
CID 158561044
2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80927624
1-[6-[(2-aminopyrimidin-4-yl)amino]-3H-isoindol-1-yl]-2-(oxan-4-yl)ethanone
CID 159039793
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 71286698
1-[6-[(2-aminopyrimidin-4-yl)amino]-3H-isoindol-1-yl]-2-(2H-benzotriazol-5-yl)ethanone
CID 161128822
4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine
CID 80843375
5-[(2-aminopyrimidin-4-yl)amino]isoindole-1,3-dione
CID 80760234
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112902414
4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine
CID 143557696

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine (CID 159350665) is 4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine is Nc1nccc(Nc2ccc3c(c2)C(c2cccc(C(F)(F)F)c2)=NC3)n1.
What is the InChIKey of 4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine?
The InChIKey is LHGZDUQXBCRICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5/c20-19(21,22)13-3-1-2-11(8-13)17-15-9-14(5-4-12(15)10-25-17)26-16-6-7-24-18(23)27-16/h1-9H,10H2,(H3,23,24,26,27).
What are the key properties of 4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine?
4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine has a molecular weight of 369.35 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159350665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).