4-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine

C16H16F3N5O — CID 24826518

IUPAC4-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCN1CCN(c2nc(N)nc3c2oc2cccc(C(F)(F)F)c23)CC1
InChIInChI=1S/C16H16F3N5O/c1-23-5-7-24(8-6-23)14-13-12(21-15(20)22-14)11-9(16(17,18)19)3-2-4-10(11)25-13/h2-4H,5-8H2,1H3,(H2,20,21,22)
InChIKeyPELNBHNZKPUKKD-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.73
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine

4-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 24826518) has the molecular formula C16H16F3N5O and a molecular weight of 351.33 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID24826518
Molecular FormulaC16H16F3N5O
Molecular Weight351.33 g/mol
Exact Mass351.13
IUPAC Name4-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCN1CCN(c2nc(N)nc3c2oc2cccc(C(F)(F)F)c23)CC1
InChIInChI=1S/C16H16F3N5O/c1-23-5-7-24(8-6-23)14-13-12(21-15(20)22-14)11-9(16(17,18)19)3-2-4-10(11)25-13/h2-4H,5-8H2,1H3,(H2,20,21,22)
InChIKeyPELNBHNZKPUKKD-UHFFFAOYSA-N
XLogP2.73
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine with MolForge

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Related Compounds

(R)-8-chloro-4-(3-(methylamino)pyrrolidin-1-yl)benzofuro[3,2-d]pyrimidin-2-amine
CID 16718567
8-Chloro-4-(4-methyl-piperazin-1-yl)-benzo[4,5]furo[3,2-d]pyrimidin-2-ylamine
CID 23653543
8-bromo-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24737950
8-Chloro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24826766
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 57396301
4-(4-Methylpiperazin-1-yl)-8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 57399746
2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1414940
N-(sec-butyl)-2-methylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 16682334
N-(3-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1399676
N-Phenyl[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 621402
2-Methyl-4-morpholino[1]benzofuro[3,2-d]pyrimidine
CID 656347
4-(4-Methyl-1-piperazinyl)benzofuro[3,2-d]pyrimidine
CID 2306318

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 24826518) is 4-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine is CN1CCN(c2nc(N)nc3c2oc2cccc(C(F)(F)F)c23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is PELNBHNZKPUKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O/c1-23-5-7-24(8-6-23)14-13-12(21-15(20)22-14)11-9(16(17,18)19)3-2-4-10(11)25-13/h2-4H,5-8H2,1H3,(H2,20,21,22).
What are the key properties of 4-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 351.33 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24826518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).